SCHEMBL5204693

SCHEMBL5204693

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.52
L3MBTL1 Q9Y468 1/20 0.40
MLNR O43193 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HTR2B P41595 1/20 0.38
MAPK11 Q15759 2/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
NQO2 P16083 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
ACTR2 P61160 1/20 0.38
CCR5 P51681 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
SCHEMBL5205465 0.91 MAPK14 (0.50) MAPK14L3MBTL1MLNRCYP3A4CYP2C9
SCHEMBL5205440 0.89 MAPK14 (0.58) MAPK14MLNRCYP3A4CYP2C9CYP2C19
SCHEMBL5202678 0.89 MAPK14 (0.54) MAPK14L3MBTL1MLNRCYP3A4CYP2C9
SCHEMBL5205942 0.86 MAPK14 (0.59) MAPK14MLNRCYP3A4CYP2C9CYP2C19
SCHEMBL5203602 0.85 MAPK14 (0.51) MAPK14L3MBTL1CYP3A4CYP2C9CYP2C19
SCHEMBL5202103 0.83 MAPK14 (0.51) MAPK14L3MBTL1MLNRCYP3A4CYP2C9
SCHEMBL5201216 0.83 MAPK14 (0.51) MAPK14L3MBTL1CYP2C9CYP2C19
SCHEMBL5205291 0.82 MAPK14 (0.60) MAPK14MLNRCYP3A4MAPK11MAPK13
SCHEMBL5205422 0.82 MAPK14 (0.47) MAPK14L3MBTL1CYP2C9CYP2C19
SCHEMBL5202008 0.81 MAPK14 (0.59) MAPK14MLNRCYP3A4CYP2C9CYP2C19

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