SCHEMBL6597238

SCHEMBL6597238

COc1ccc(C(CCN2CCCN(c3nc4ccccc4n3CCC#N)CC2)CN(C)C(=O)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TACR2 P21452 11/20 0.46
ALDH1A1 P00352 1/20 0.46
TACR1 P25103 1/20 0.40

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
SCHEMBL6599076 0.94 TACR2 (0.48) LMNATACR2TACR1
SCHEMBL6596004 0.92 LMNA (0.43) LMNAMAPTTSHRTDP1TACR2
SCHEMBL6596269 0.92 TACR2 (0.47) TACR2TACR1
SCHEMBL6598099 0.90 LMNA (0.49) LMNAMAPTTSHRTDP1TACR2
SCHEMBL6595755 0.90 MAPT (0.47) LMNAMAPTTSHRTDP1TACR2
SCHEMBL6597393 0.90 LMNA (0.48) LMNAMAPTTSHRTDP1TACR2
SCHEMBL6593467 0.90 LMNA (0.48) LMNAMAPTTSHRTDP1TACR2
SCHEMBL6597166 0.89 LMNA (0.46) LMNAMAPTTSHRTDP1TACR2
SCHEMBL6597283 0.89 TACR2 (0.41) LMNAMAPTTSHRTDP1TACR2
SCHEMBL6595605 0.88 LMNA (0.42) LMNAMAPTTSHRTDP1TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888338-B1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2004-11-17 EP disclosed
EP-0888338-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1999-01-07 EP disclosed
WO-1997030991-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL)[1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 WO disclosed