SCHEMBL6596189

SCHEMBL6596189

CN(CC(CCN1CCCN(c2nc3ccccc3n2Cc2ccoc2)CC1)c1ccncc1)C(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 13/20 0.43
TACR1 P25103 1/20 0.38

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
SCHEMBL6595957 0.96 TACR2 (0.46) TACR2TACR1
SCHEMBL6600099 0.93 TACR2 (0.42) TACR2TACR1
SCHEMBL6599166 0.93 TACR2 (0.45) TACR2
SCHEMBL6598925 0.93 TACR2 (0.48) TACR2TACR1
SCHEMBL6606329 0.91 MAPT (0.44) TACR2
SCHEMBL6598098 0.91 TACR2 (0.48) TACR2TACR1
SCHEMBL6597572 0.91 TACR2 (0.41) TACR2
SCHEMBL6598013 0.91 HRH1 (0.38) TACR2TACR1
SCHEMBL6597483 0.89 TACR2 (0.47) TACR2TACR1
SCHEMBL6599556 0.89 TACR2 (0.48) 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