SCHEMBL6174388

SCHEMBL6174388

Cc1cccc2c(C(C)C3(C(C)c4ccnc5c(C)cccc45)NC(=O)N(c4ccc(OC(F)(F)F)cc4)C3=O)ccnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRPV4 Q9HBA0 1/20 0.33
PDE2A O00408 2/20 0.33
AR P10275 2/20 0.32
ELOVL6 Q9H5J4 1/20 0.32
ELOVL3 Q9HB03 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA3 P34903 1/20 0.32
GPR139 Q6DWJ6 2/20 0.32
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 1/20 0.32

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
SCHEMBL6175295 0.90 POLB (0.35) POLBL3MBTL1TRPV4PDE2AAR
SCHEMBL6175936 0.90 GPR139 (0.40) POLBL3MBTL1ALDH1A1CYP3A4GAA
SCHEMBL6173272 0.89 GPR139 (0.34) POLBL3MBTL1TRPV4PDE2AAR
SCHEMBL6175751 0.86 AR (0.41) POLBL3MBTL1ARALDH1A1CYP3A4
SCHEMBL6173665 0.86 MAPT (0.36) POLBL3MBTL1TRPV4PDE2AALDH1A1
SCHEMBL6175187 0.85 IGF1R (0.42) ARTSHRKMT2A
SCHEMBL6174465 0.82 MAPK7 (0.39) MAPK7POLBL3MBTL1PDE2AAR
SCHEMBL6175201 0.82 MAPK7 (0.39) MAPK7POLBL3MBTL1TRPV4PDE2A
SCHEMBL6173429 0.81 POLB (0.41) POLBL3MBTL1PDE2AARALDH1A1
SCHEMBL6177961 0.80 MAPK7 (0.39) MAPK7POLBL3MBTL1ARALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO disclosed