SCHEMBL6594972

SCHEMBL6594972

CCOCCn1c(N2CCCN(CCC(CN(C)C(=O)c3cc(OC)c(OC)c(OC)c3)c3ccc(Cl)c(Cl)c3)CC2)nc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 11/20 0.52
TACR1 P25103 1/20 0.46

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
SCHEMBL6596408 0.94 TACR2 (0.43) TACR2
SCHEMBL6595344 0.94 TACR2 (0.54) TACR2TACR1
SCHEMBL6595750 0.93 TACR2 (0.49) TACR2TACR1
SCHEMBL6595748 0.93 HRH1 (0.44) TACR2
SCHEMBL6599260 0.93 TACR2 (0.52) TACR2TACR1
SCHEMBL6592810 0.93 TACR2 (0.42) TACR2
SCHEMBL6596753 0.92 HRH1 (0.44)
SCHEMBL6595577 0.92 TACR2 (0.50) TACR2TACR1
SCHEMBL6595736 0.92 HRH1 (0.42) TACR2
SCHEMBL6598857 0.92 ALDH1A1 (0.45)

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