SCHEMBL19360360

SCHEMBL19360360

CCSc1ccc(CNC(=O)c2ccc3c(c2)cc(Cc2ccccn2)n3C2CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 13/20 0.50
PIK3CA P42336 1/20 0.40
LMNA P02545 1/20 0.39
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL19360637 0.85 RORC (0.51) RORCLMNA
SCHEMBL19360361 0.82 RORC (0.61) RORC
SCHEMBL19360519 0.80 RORC (0.49) RORCLMNAOPRM1OPRD1OPRK1
SCHEMBL19360525 0.78 RORC (0.68) RORC
SCHEMBL19360485 0.78 RORC (0.51) RORCOPRM1OPRD1OPRK1OPRL1
SCHEMBL19360551 0.78 RORC (0.56) RORC
SCHEMBL19360646 0.78 RORC (0.51) RORC
SCHEMBL22512504 0.77 RORC (0.51) RORC
SCHEMBL19360359 0.75 RORC (0.62) RORC
SCHEMBL19360336 0.75 RORC (0.55) RORCLMNA

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