SCHEMBL7942843

SCHEMBL7942843

Cc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N3C[C@@H]4CC3CN4C(=O)c3nc4ccccc4[nH]3)cc12

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
HRH4 Q9H3N8 1/20 0.39
PDE10A Q9Y233 3/20 0.37
SMYD3 Q9H7B4 1/20 0.37

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
SCHEMBL1550088 1.00 TAS1R3 (0.41) TAS1R3TAS1R1HRH4PDE10ASMYD3
SCHEMBL19856854 0.94 TAS1R3 (0.40) TAS1R3TAS1R1PDE10A
SCHEMBL1549856 0.92 ALB (0.43) TAS1R3TAS1R1
SCHEMBL7940976 0.90 TAS1R3 (0.42) TAS1R3TAS1R1HRH4PDE10ASMYD3
SCHEMBL1550136 0.90 TAS1R3 (0.42) TAS1R3TAS1R1HRH4PDE10ASMYD3
SCHEMBL1549475 0.90 TAS1R3 (0.52) TAS1R3TAS1R1HRH4
SCHEMBL1549546 0.88 TAS1R3 (0.45) TAS1R3TAS1R1HRH4PDE10ASMYD3
SCHEMBL19857014 0.88 TAS1R3 (0.45) TAS1R3TAS1R1HRH4PDE10ASMYD3
SCHEMBL1550269 0.87 TAS1R3 (0.39) TAS1R3TAS1R1HRH4PDE10ASMYD3
SCHEMBL1550379 0.86 TAS1R3 (0.43) TAS1R3TAS1R1HRH4PDE10ASMYD3

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-2010011914-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-01-28 WO disclosed