SCHEMBL3942773

SCHEMBL3942773

COc1cccc(C2NC(=O)NC(CCc3cccc(Cl)c3)=C2C(=O)OCc2ccc(F)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.54
PKM P14618 1/20 0.52

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
SCHEMBL3946997 0.93 PKM (0.50) RXFP1PKM
SCHEMBL3952013 0.92 PKM (0.56) RXFP1PKM
SCHEMBL3942206 0.91 TSHR (0.49)
SCHEMBL3945068 0.91 PKM (0.61) RXFP1PKM
SCHEMBL3943252 0.90 PKM (0.54) RXFP1PKM
SCHEMBL3941131 0.88 MEN1 (0.52) PKM
SCHEMBL3945218 0.87 HTT (0.57) PKM
SCHEMBL3948655 0.87 RXFP1 (0.61) RXFP1PKM
SCHEMBL3943430 0.87 PKM (0.58) RXFP1PKM
SCHEMBL3946833 0.87 HTT (0.61) RXFP1PKM

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
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed