SCHEMBL7653236

SCHEMBL7653236

NC(=O)C1(c2cccc(Sc3ccc(-n4ccnc4)cc3)c2)CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.68
CYP3A4 P08684 2/20 0.36
BAZ2B Q9UIF8 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
PIK3CD O00329 1/20 0.36
ADH5 P11766 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.34
ENPP2 Q13822 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
IDO1 P14902 1/20 0.34
HTT P42858 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ABCC9 O60706 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
SCHEMBL8166180 0.88 ALOX5 (0.67) ALOX5PIK3CDLMNA
SCHEMBL7656075 0.83 ALOX5 (0.69) ALOX5PIK3CDLMNA
SCHEMBL29405839 0.81 ALOX5 (1.00) ALOX5PIK3CD
SCHEMBL332442 0.81 ALOX5 (1.00) ALOX5PIK3CD
Hydrochloric Acid SCHEMBL8173877 0.80 ALOX5 (0.98) ALOX5PIK3CD
SCHEMBL7654887 0.79 ALOX5 (0.68) ALOX5PIK3CDLMNA
SCHEMBL14678487 0.79 ALOX5 (0.79) ALOX5PIK3CD
SCHEMBL7655164 0.78 ALOX5 (0.67) ALOX5
SCHEMBL3568549 0.78 ALOX5 (0.62) ALOX5PIK3CD
SCHEMBL6573790 0.78 ALOX5 (0.93) ALOX5PIK3CD

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1291609-A Method of preparing 5-lipoxidase inhibitor possessing different heterocyclic ring system PFIZER PROD INC (US) 2001-04-18 CN claimed
EP-1081146-A1 Process for making 5-lipoxygenase inhibitors having varied heterocyclic ring systems Pfizer Products Inc. (US) 2001-03-07 EP claimed
EP-1081143-A1 Process for making 5-lipoxygenase inhibitors having varied heterocyclic ring systems Pfizer Products Inc. (US) 2001-03-07 EP claimed
US-6346624-B1 ENZYME INHIBITORS FORMED BY DEHYDROHALOGENATION PFIZER INC 2002-02-12 US disclosed
US-6344563-B1 SULFIDING, DEHYDROHALOGENATION, FORMATION OF BOND BETWEEN CARBON AND NITROGEN NORRIS TIMOTHY (US) 2002-02-05 US disclosed
US-6239285-B1 REACTING A TETRAHYDRO-4-(3-(4-FLUOROPHENYL)THIO)PHENYL-2H-PYRAN-4-CARBOXA MIDE WITH HETEROCYCLE RING PFIZER INC 2001-05-29 US disclosed
CN-1291609-A Method of preparing 5-lipoxidase inhibitor possessing different heterocyclic ring system PFIZER PROD INC (US) 2001-04-18 CN disclosed
EP-1081144-A2 Process for making 5-lipoxygenase inhibitors having varied heterocyclic ring systems Pfizer Products Inc. (US) 2001-03-07 EP disclosed
EP-1081146-A1 Process for making 5-lipoxygenase inhibitors having varied heterocyclic ring systems Pfizer Products Inc. (US) 2001-03-07 EP disclosed
EP-1081143-A1 Process for making 5-lipoxygenase inhibitors having varied heterocyclic ring systems Pfizer Products Inc. (US) 2001-03-07 EP disclosed
CN-1286250-A Method for preparing 5-lipooxygenase inhibitor having changeable heterocycle system PFIZER PROD INC (US) 2001-03-07 CN disclosed