SCHEMBL6595676

SCHEMBL6595676

COc1ccc(C(CCN2CCCN(c3nc4ccccc4n3Cc3ccco3)CC2)CN(C)C(=O)c2ccccc2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 15/20 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
SCHEMBL6596376 0.94 HRH1 (0.42) TACR2TACR1
SCHEMBL6600342 0.92 LMNA (0.45) TACR2
SCHEMBL6599369 0.91 TACR2 (0.44) TACR2TACR1
SCHEMBL6594419 0.91 TACR2 (0.48) TACR2TACR1
SCHEMBL6597773 0.91 TACR2 (0.46) TACR2TACR1
SCHEMBL6598964 0.90 TACR2 (0.46) TACR2TACR1
SCHEMBL6594153 0.90 HRH1 (0.45) TACR2TACR1
SCHEMBL6595049 0.90 TACR2 (0.47) TACR2TACR1
SCHEMBL6599801 0.90 TACR2 (0.60) TACR2TACR1
SCHEMBL6593512 0.89 TACR2 (0.46) 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