SCHEMBL19360485

SCHEMBL19360485

CCSc1ccc(CNC(=O)c2ccc3c(c2)cc(Cn2nccc2C(F)(F)F)n3C2CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RORC P51449 18/20 0.51
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 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
SCHEMBL19360479 0.88 RORC (0.64) RORC
SCHEMBL22512504 0.82 RORC (0.51) RORC
SCHEMBL19360361 0.81 RORC (0.61) RORC
SCHEMBL19360519 0.81 RORC (0.49) RORCOPRM1OPRD1OPRK1OPRL1
SCHEMBL19360504 0.80 RPS6KB1 (0.39) RORC
SCHEMBL19360494 0.79 L3MBTL1 (0.38) RORC
SCHEMBL19360579 0.79 RORC (0.42) RORC
SCHEMBL19360525 0.79 RORC (0.68) RORC
SCHEMBL19360360 0.78 RORC (0.50) RORCOPRM1OPRD1OPRK1OPRL1
SCHEMBL19360654 0.78 RORC (0.50) RORC

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-2017157332-A1 AROMATIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATIONS THEREOF 江苏恒瑞医药股份有限公司 2017-09-21 WO disclosed