SCHEMBL6596274

SCHEMBL6596274

CCCCCn1c(N2CCCN(CCC(CN(C)C(=O)c3ccc(C(C)(C)C)cc3)c3ccc(Cl)c(Cl)c3)CC2)nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 19/20 0.55
TACR1 P25103 1/20 0.48

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
SCHEMBL6597363 0.94 TACR2 (0.58) TACR2TACR1
SCHEMBL6597245 0.93 TACR2 (0.64) TACR2TACR1
SCHEMBL6597578 0.93 TACR2 (0.57) TACR2TACR1
SCHEMBL6599027 0.92 TACR2 (0.54) TACR2TACR1
SCHEMBL6597366 0.91 TACR2 (0.53) TACR2TACR1
SCHEMBL6604395 0.88 TACR2 (0.52) TACR2TACR1
SCHEMBL6597092 0.88 TACR2 (0.52) TACR2TACR1
SCHEMBL6599088 0.88 TACR2 (0.52) TACR2TACR1
SCHEMBL6599260 0.87 TACR2 (0.52) TACR2TACR1
SCHEMBL6599581 0.86 TACR2 (0.51) 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 1 patent. 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