SCHEMBL6424010

SCHEMBL6424010

C=CCC(CN(C)C(=O)c1cc(OC)c(OC)c(OC)c1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 17/20 0.44
TACR1 P25103 2/20 0.43

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
SCHEMBL6424008 1.00 TACR2 (0.44) TACR2TACR1
SCHEMBL6425190 0.91 TACR2 (0.45) TACR2TACR1
SCHEMBL6425195 0.91 TACR2 (0.45) TACR2TACR1
SCHEMBL6595201 0.85 TACR2 (0.50) TACR2TACR1
SCHEMBL9110425 0.83 TACR2 (0.61) TACR2TACR1
SCHEMBL6595186 0.82 TACR2 (0.47) TACR2TACR1
SCHEMBL8092249 0.80 TACR1 (0.53) TACR2TACR1
SCHEMBL6592845 0.78 TACR2 (0.44) TACR2TACR1
SCHEMBL8308170 0.76 TACR2 (0.42) TACR2TACR1
SCHEMBL6422198 0.76 NOTUM (0.40) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077942-B1 CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS AVENTIS PHARMA INC (US) 2005-01-12 EP disclosed
US-6316445-B1 TACHYKININ RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. 2001-11-13 US disclosed
EP-1077942-A1 CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2001-02-28 EP disclosed
WO-1999059972-A1 CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 1999-11-25 WO disclosed