SCHEMBL6996763

SCHEMBL6996763

CCN(C(=O)c1c(CN2CCN(CC(C)C(=O)O)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 19/20 0.54
TACR2 P21452 12/20 0.54
KCNH2 Q12809 7/20 0.53
OPRM1 P35372 7/20 0.51

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
SCHEMBL5908755 0.79 TACR2 (0.70) TACR3TACR2OPRM1
SCHEMBL27745642 0.78 TACR3 (0.55) TACR3TACR2KCNH2OPRM1
SCHEMBL6996768 0.78 LMNA (0.63) TACR3TACR2KCNH2OPRM1
SCHEMBL6854969 0.77 TACR2 (0.63) TACR3TACR2KCNH2OPRM1
SCHEMBL6853990 0.76 TACR3 (0.61) TACR3TACR2KCNH2OPRM1
SCHEMBL6999030 0.75 TACR3 (0.48) TACR3TACR2KCNH2OPRM1
SCHEMBL4667074 0.74 TACR3 (0.53) TACR3TACR2KCNH2OPRM1
SCHEMBL7002820 0.74 TACR2 (0.55) TACR3TACR2KCNH2OPRM1
SCHEMBL6848956 0.74 TACR2 (0.61) TACR3TACR2KCNH2OPRM1
SCHEMBL4665274 0.73 TACR3 (0.45) TACR3KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351953-A1 QUINOLINE DERIVATIVES AS NK-3 ANTAGONISTS GlaxoSmithKline S.p.A. (IT) 2003-10-15 EP disclosed
WO-2002044165-A1 QUINOLINE DERIVATIVES AS NK-3 ANTAGONISTS GLAXOSMITHKLINE SPA (IT) 2002-06-06 WO disclosed