Sugi Predict

Sugi Predict / Compounds / SCHEMBL5205465

SCHEMBL5205465

SCHEMBL5205465

CCOC(=O)On1cc(C(=O)C(=O)N2CCN(C)CC2)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(OC)cc21

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 9/20 0.50
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MLNR O43193 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ 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
SCHEMBL5203602 0.95 MAPK14 (0.51) MAPK14CYP2C9CYP2C19L3MBTL1CYP3A4
SCHEMBL5201216 0.92 MAPK14 (0.51) MAPK14CYP2C9CYP2C19L3MBTL1CHRM2
SCHEMBL5202103 0.92 MAPK14 (0.51) MAPK14CYP2C9CYP2C19L3MBTL1MLNR
SCHEMBL5205422 0.91 MAPK14 (0.47) MAPK14CYP2C9CYP2C19L3MBTL1
SCHEMBL5204693 0.91 MAPK14 (0.52) MAPK14CYP2C9CYP2C19L3MBTL1MLNR
SCHEMBL5201743 0.89 MAPK14 (0.56) MAPK14CYP2C9CYP2C19MLNRCYP3A4
SCHEMBL5207414 0.89 MAPK14 (0.52) MAPK14CYP2C9CYP2C19L3MBTL1MLNR
SCHEMBL5204360 0.89 MAPK14 (0.50) MAPK14CYP2C9CYP2C19L3MBTL1
SCHEMBL5201020 0.87 MAPK14 (0.56) MAPK14CYP2C9CYP2C19MLNRCYP3A4
SCHEMBL5201330 0.86 MAPK14 (0.53) MAPK14CYP2C9CYP2C19

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