SCHEMBL17860422

SCHEMBL17860422

CN(Cc1ccc(C#N)cc1)c1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NC3Cc4ccccc4C3)O[C@H]1CO2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 5/20 0.49
CASP6 P55212 1/20 0.45
PLCG1 P19174 4/20 0.45
PLCB3 Q01970 4/20 0.45
OGA O60502 1/20 0.34
AR P10275 1/20 0.33
AGTR2 P50052 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
MCHR1 Q99705 1/20 0.30
GRM7 Q14831 1/20 0.30

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
SCHEMBL17860386 0.92 PAX8 (0.51) PAX8CASP6PLCG1PLCB3GRM7
SCHEMBL17860439 0.91 PAX8 (0.55) PAX8CASP6PLCG1PLCB3GRM7
SCHEMBL17860438 0.91 PAX8 (0.51) PAX8CASP6PLCG1PLCB3GRM7
SCHEMBL17860513 0.90 PAX8 (0.51) PAX8CASP6PLCG1PLCB3AGTR2
SCHEMBL17860425 0.90 PAX8 (0.49) PAX8CASP6PLCG1PLCB3MCHR1
SCHEMBL17860423 0.90 PAX8 (0.51) PAX8CASP6PLCG1PLCB3
SCHEMBL17860304 0.90 PAX8 (0.49) PAX8CASP6PLCG1PLCB3OGA
SCHEMBL17860426 0.89 PAX8 (0.52) PAX8CASP6PLCG1PLCB3
SCHEMBL17860451 0.88 PAX8 (0.47) PAX8CASP6PLCG1PLCB3
SCHEMBL17860357 0.87 PAX8 (0.56) PAX8CASP6PLCG1PLCB3GRM7

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-2016100711-A1 MODULATORS OF HEPATIC LIPOPROTEIN METABOLISM THE BROAD INSTITUTE, INC. (US) 2016-06-23 WO disclosed