SCHEMBL5201743

SCHEMBL5201743

COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N1CCN(C)CC1)cn2OC(=O)N(C)C

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.56
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MLNR O43193 1/20 0.38
CYP3A4 P08684 1/20 0.38
BCHE P06276 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
MAOB P27338 1/20 0.38
CHRM2 P08172 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
SCHEMBL5205440 0.91 MAPK14 (0.58) MAPK14CYP2C9CYP2C19MLNRCYP3A4
SCHEMBL5205465 0.89 MAPK14 (0.50) MAPK14CYP2C9CYP2C19MLNRCYP3A4
SCHEMBL5205115 0.88 MAPK14 (0.57) MAPK14CYP2C9CYP2C19MLNRCYP3A4
SCHEMBL5201020 0.88 MAPK14 (0.56) MAPK14CYP2C9CYP2C19MLNRCYP3A4
SCHEMBL5200970 0.84 MAPK14 (0.52) MAPK14CYP2C9CYP2C19MLNRCYP3A4
SCHEMBL5203602 0.84 MAPK14 (0.51) MAPK14CYP2C9CYP2C19CYP3A4
SCHEMBL5207414 0.84 MAPK14 (0.52) MAPK14CYP2C9CYP2C19MLNRCYP3A4
SCHEMBL21133758 0.81 MAPK14 (0.58) MAPK14CYP2C9CYP2C19MLNRCYP3A4
SCHEMBL14454037 0.81 MAPK14 (0.58) MAPK14CYP2C9CYP2C19
SCHEMBL5201216 0.81 MAPK14 (0.51) MAPK14CYP2C9CYP2C19CHRM2

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
EP-1178983-B1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC (US) 2007-10-24 EP claimed