SCHEMBL3337299

SCHEMBL3337299

CC(=O)C(N)Cc1ncc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.42
TBXAS1 P24557 2/20 0.41
FPR2 P25090 1/20 0.38
TAAR1 Q96RJ0 6/20 0.38
HTR1A P08908 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
ALOX15 P16050 1/20 0.37
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TERT O14746 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24834446 0.84 GRIA2 (0.51) FDPSTBXAS1FPR2TAAR1GRIA1
SCHEMBL781663 0.84 GRIA2 (0.51) FDPSTBXAS1FPR2TAAR1GRIA1
SCHEMBL10838551 0.84 TBXAS1 (0.42) FDPSTBXAS1FPR2TAAR1HTR1A
SCHEMBL3838965 0.84 GRIA2 (0.51) FDPSTBXAS1FPR2TAAR1GRIA1
Hydrochloric Acid SCHEMBL10837657 0.83 TBXAS1 (0.44) FDPSTBXAS1FPR2TAAR1HTR1A
SCHEMBL10836428 0.82 FPR2 (0.39) FDPSTBXAS1FPR2TAAR1HTR1A
SCHEMBL16481708 0.82 FPR2 (0.39) FDPSTBXAS1FPR2TAAR1HTR1A
SCHEMBL10837738 0.82 FPR2 (0.42) FDPSTBXAS1FPR2TAAR1HTR1A
SCHEMBL10838983 0.82 FPR2 (0.39) FDPSTBXAS1FPR2TAAR1HTR1A
Hydrochloric Acid SCHEMBL11090438 0.81 GRIA1 (0.49) FDPSTBXAS1FPR2TAAR1GRIA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2559434-A2 Treatment of COPD using a histidine decarboxylase inhibitor sole or combined with an anti-H1 drug or with a leucotriene receptor antagonist Nicolaou, Mike (US) 2013-02-20 EP claimed
US-20120295933-A1 TREATMENT OF COPD, GASTRO-ESOPHAGEAL REFLUX DISEASE (GERD), FOOD ALLERGIES AND OTHER GASTROINTESTINAL CONDITIONS AND DISORDERS AMELIORATED BY PROPER HISTAMINE MANAGEMENT USING A COMBINATION OF HISTIDINE DECARBOXYLASE INHIBATORS, LRA DRUGS, ANTI-H1 AND/OR ANTI-H2 DRUGS LORIA EMILE (US) 2012-11-22 US claimed
US-20100144718-A1 TREATMENT OF DISEASES MODULATED BY A H4 RECEPTOR AGONIST NICOLAOU MICHALIS 2010-06-10 US claimed
EP-2170317-A1 TREATMENT OF COPD, GASTRO-ESOPHAGEAL REFLUX DISEASE (GERD), FOOD ALLERGIES AND OTHER GASTROINTESTINAL CONDITIONS AND DISORDERS AMELIORATED BY PROPER HISTAMINE MANAGEMENT USING A COMBINATION OF HISTIDINE DECARBOXYLASE INHIBITORS, LRA DRUGS, ANTI-H1 AND/OR ANTI-H2 DRUGS Nicolaou, Mike (US) 2010-04-07 EP claimed
US-20080207530-A1 Treatment of COPD, gastro-esophageal reflux disease (GERD), food allergies and other gastrointestinal conditions and disorders ameliorated by proper histamine management using a combination of histidine decarboxylase inhibitors, LRA drugs, anti-H1 and/or anti-H2 drugs NICOLAOU MICHALIS 2008-08-28 US claimed
WO-2008100539-A1 TREATMENT OF COPD, GASTRO-ESOPHAGEAL REFLUX DISEASE (GERD), FOOD ALLERGIES AND OTHER GASTROINTESTINAL CONDITIONS AND DISORDERS AMELIORATED BY PROPER HISTAMINE MANAGEMENT USING A COMBINATION OF HISTIDINE DECARBOXYLASE INHIBITORS, LRA DRUGS, ANTI-H1 AND/OR ANTI-H2 DRUGS NICOLAOU MICHALIS (US) 2008-08-21 WO claimed
US-20130059878-A1 TREATMENT OF DISEASES MODULATED BY A H4 RECEPTOR AGONIST LORIA EMILE (US) 2013-03-07 US disclosed
EP-2559434-A2 Treatment of COPD using a histidine decarboxylase inhibitor sole or combined with an anti-H1 drug or with a leucotriene receptor antagonist Nicolaou, Mike (US) 2013-02-20 EP disclosed
US-20120295933-A1 TREATMENT OF COPD, GASTRO-ESOPHAGEAL REFLUX DISEASE (GERD), FOOD ALLERGIES AND OTHER GASTROINTESTINAL CONDITIONS AND DISORDERS AMELIORATED BY PROPER HISTAMINE MANAGEMENT USING A COMBINATION OF HISTIDINE DECARBOXYLASE INHIBATORS, LRA DRUGS, ANTI-H1 AND/OR ANTI-H2 DRUGS LORIA EMILE (US) 2012-11-22 US disclosed
US-8207292-B2 Tritoqualine or isomer, alpha-fluoromethylhistidine, 3-methoxy-5,7,3',4'-tetrahydroxyflavan, naringenin, cyanidanol-3, His-Phe dipeptide, 4-imidazolyl-3-amino-2-butanone, epigallocatechin gallate and other catechins; NICOLAOU MICHALIS (US) 2012-06-26 US disclosed
US-8207188-B2 Treatment of diseases modulated by a H4 receptor agonist NICOLAOU MICHALIS (US) 2012-06-26 US disclosed
US-20100144718-A1 TREATMENT OF DISEASES MODULATED BY A H4 RECEPTOR AGONIST NICOLAOU MICHALIS 2010-06-10 US disclosed
EP-2170317-A1 TREATMENT OF COPD, GASTRO-ESOPHAGEAL REFLUX DISEASE (GERD), FOOD ALLERGIES AND OTHER GASTROINTESTINAL CONDITIONS AND DISORDERS AMELIORATED BY PROPER HISTAMINE MANAGEMENT USING A COMBINATION OF HISTIDINE DECARBOXYLASE INHIBITORS, LRA DRUGS, ANTI-H1 AND/OR ANTI-H2 DRUGS Nicolaou, Mike (US) 2010-04-07 EP disclosed
US-20080207530-A1 Treatment of COPD, gastro-esophageal reflux disease (GERD), food allergies and other gastrointestinal conditions and disorders ameliorated by proper histamine management using a combination of histidine decarboxylase inhibitors, LRA drugs, anti-H1 and/or anti-H2 drugs NICOLAOU MICHALIS 2008-08-28 US disclosed
WO-2008100539-A1 TREATMENT OF COPD, GASTRO-ESOPHAGEAL REFLUX DISEASE (GERD), FOOD ALLERGIES AND OTHER GASTROINTESTINAL CONDITIONS AND DISORDERS AMELIORATED BY PROPER HISTAMINE MANAGEMENT USING A COMBINATION OF HISTIDINE DECARBOXYLASE INHIBITORS, LRA DRUGS, ANTI-H1 AND/OR ANTI-H2 DRUGS NICOLAOU MICHALIS (US) 2008-08-21 WO disclosed