SCHEMBL8201118

SCHEMBL8201118

CN(C(=O)C(C#N)C(=O)C1CC1)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
PDK2 Q15119 4/20 0.38
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
GPBAR1 Q8TDU6 2/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
LIPE Q05469 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL9204753 0.86 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4PDK2
SCHEMBL9199227 0.82 NAMPT (0.40) MEN1MAPTKMT2AALDH1A1TDP1
SCHEMBL9819113 0.79 ALDH1A1 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4MAPT
SCHEMBL9198607 0.79 MAPT (0.36) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL9205909 0.76 PGR (0.35) PDK2GPBAR1
SCHEMBL9638607 0.74 ALDH1A1 (0.31) MAPTALDH1A1
SCHEMBL3916812 0.73 PDK2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA4PDK2
SCHEMBL9818892 0.71 CYP11B1 (0.43) GPBAR1LIPEALDH1A1POLBTDP1
SCHEMBL9818860 0.71 CYP11B1 (0.43) GPBAR1LIPEALDH1A1POLBTDP1
SCHEMBL24339824 0.69 MLYCD (0.56) CHRNB2CHRNB4CHRNA3CHRNA4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787491-B1 PREVENTIVE AND REMEDY FOR TYPE I ALLERGIC DISEASES AVENTIS PHARMA LTD (JP) 2000-07-26 EP claimed
US-5814649-A ALLERGIC DISEASES AND TREATMENT WITH AROMATIC AMIDES WITH IMMUNOGLOBULIN INHIBITORS HOECHST PHARMACEUTICALS & CHEMICALS K.K. (JP) 1998-09-29 US claimed
EP-0787491-A1 PREVENTIVE AND REMEDY FOR TYPE I ALLERGIC DISEASES HOECHST JAPAN LIMITED (JP) 1997-08-06 EP claimed
EP-0787491-B1 PREVENTIVE AND REMEDY FOR TYPE I ALLERGIC DISEASES AVENTIS PHARMA LTD (JP) 2000-07-26 EP disclosed
US-5814649-A ALLERGIC DISEASES AND TREATMENT WITH AROMATIC AMIDES WITH IMMUNOGLOBULIN INHIBITORS HOECHST PHARMACEUTICALS & CHEMICALS K.K. (JP) 1998-09-29 US disclosed
EP-0787491-A1 PREVENTIVE AND REMEDY FOR TYPE I ALLERGIC DISEASES HOECHST JAPAN LIMITED (JP) 1997-08-06 EP disclosed
EP-0484223-B1 3-Cycloalkylpropanamides, their tautomers and salts, process for their preparation, their use as medicaments and compositions containing them ROUSSEL UCLAF (FR) 1995-03-08 EP disclosed
US-5384423-A Intermediates for antiinflammatory agents ROUSSEL-UCLAF (FR) 1995-01-24 US disclosed
US-5240960-A Antiinflammatory agents ROUSSEL UCLAF (FR) 1993-08-31 US disclosed
EP-0484223-A2 3-Cycloalkylpropanamides, their tautomers and salts, process for their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1992-05-06 EP disclosed