SCHEMBL6596940

SCHEMBL6596940

COc1ccc(C(CCN2CCCN(c3nc4ccccc4[nH]3)CC2)CN(C)C(=O)c2ccccc2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 18/20 0.56
TP53 P04637 1/20 0.44
TACR1 P25103 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL6597372 0.94 TACR2 (0.49) TACR2TP53TACR1LMNAPOLB
SCHEMBL6599903 0.90 TACR2 (0.54) TACR2TACR1
SCHEMBL6598657 0.90 TACR2 (0.54) TACR2TACR1
SCHEMBL6597973 0.90 TACR2 (0.58) TACR2TACR1
SCHEMBL6595436 0.89 TACR2 (0.57) TACR2TACR1
SCHEMBL6594871 0.88 TACR2 (0.49) TACR2TP53TACR1LMNAPOLB
SCHEMBL6597502 0.88 TACR2 (0.57) TACR2TACR1
SCHEMBL6597490 0.88 TACR2 (0.71) TACR2TACR1
SCHEMBL6595207 0.87 TACR2 (0.59) TACR2TACR1
SCHEMBL6596735 0.87 TACR2 (0.55) TACR2TACR1

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