SCHEMBL3944771

SCHEMBL3944771

COc1ccc(CCC2=C(C(=O)OCc3ccc(F)c(C#N)c3)C(c3cncc(C#N)c3)NC(=O)N2)cc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.46
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
MAPK10 P53779 1/20 0.42

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
SCHEMBL3943534 0.93 RXFP1 (0.40) RXFP1
SCHEMBL3950755 0.90 RXFP1 (0.53) RXFP1TSHRHTTMAPK10
SCHEMBL3951299 0.90 RXFP1 (0.46) RXFP1
SCHEMBL3941702 0.90 RXFP1 (0.47) RXFP1TSHRHTTMAPK10
SCHEMBL3943104 0.89 RXFP1 (0.44) RXFP1TSHRHTTMAPK10
SCHEMBL3945458 0.88 RXFP1 (0.51) RXFP1
SCHEMBL3949121 0.88 RXFP1 (0.60) RXFP1TSHRHTTMAPK10
SCHEMBL3950417 0.87 HTT (0.49) TSHRHTT
SCHEMBL3952043 0.87 RXFP1 (0.47) RXFP1TSHRHTTMAPK10
SCHEMBL3951199 0.86 RXFP1 (0.48) RXFP1TSHRHTTMAPK10

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