SCHEMBL6595005

SCHEMBL6595005

CCCCCn1c(N2CCCN(CCC(CN(C)C(=O)c3cc(OC)c(OC)c(OC)c3)c3ccc(C)c(C)c3)CC2)nc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 5/20 0.41

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
SCHEMBL6596590 0.94 TACR2 (0.42) TACR2
SCHEMBL6596448 0.93 TACR2 (0.41) TACR2
SCHEMBL6595736 0.92 HRH1 (0.42) TACR2
SCHEMBL6597644 0.92 LMNA (0.45) TACR2
SCHEMBL6594212 0.92 TACR2 (0.40) TACR2
SCHEMBL6599260 0.92 TACR2 (0.52) TACR2
SCHEMBL6598587 0.92 DRD2 (0.40) TACR2
SCHEMBL6599560 0.92 TACR2 (0.43) TACR2
SCHEMBL6597156 0.91 ALDH1A1 (0.41) TACR2
SCHEMBL6598959 0.91 ALDH1A1 (0.39) TACR2

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