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SCHEMBL17860438

SCHEMBL17860438

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 9/20 0.51
▸ PLCG1 P19174 4/20 0.51
▸ PLCB3 Q01970 4/20 0.51
▸ CASP6 P55212 1/20 0.47
▸ HTR2A P28223 2/20 0.33
▸ GRM7 Q14831 1/20 0.31
▸ AIMP2 Q13155 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ TSHR P16473 1/20 0.31

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 0.94 PAX8 (0.51) PAX8PLCG1PLCB3CASP6GRM7
SCHEMBL17860439 0.93 PAX8 (0.55) PAX8PLCG1PLCB3CASP6GRM7
SCHEMBL17860304 0.93 PAX8 (0.49) PAX8PLCG1PLCB3CASP6
SCHEMBL17860513 0.92 PAX8 (0.51) PAX8PLCG1PLCB3CASP6GRM7
SCHEMBL17860425 0.92 PAX8 (0.49) PAX8PLCG1PLCB3CASP6
SCHEMBL17860423 0.92 PAX8 (0.51) PAX8PLCG1PLCB3CASP6TSHR
SCHEMBL17860422 0.91 PAX8 (0.49) PAX8PLCG1PLCB3CASP6GRM7
SCHEMBL17860451 0.91 PAX8 (0.47) PAX8PLCG1PLCB3CASP6
SCHEMBL17860357 0.89 PAX8 (0.56) PAX8PLCG1PLCB3CASP6GRM7
SCHEMBL17860426 0.87 PAX8 (0.52) PAX8PLCG1PLCB3CASP6TSHR

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