SCHEMBL6176261

SCHEMBL6176261

CC(c1ccnc2ccc(Cl)cc12)C1(C(C)c2ccnc3ccc(Cl)cc23)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 6/20 0.38
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA6 Q16445 1/20 0.36
DHODH Q02127 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AR P10275 2/20 0.34
CYP3A4 P08684 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL6174465 0.90 MAPK7 (0.39) TRPV1POLBL3MBTL1ARCYP3A4
SCHEMBL6177961 0.90 MAPK7 (0.39) KDM4ETRPV1POLBL3MBTL1AR
SCHEMBL6174964 0.89 TRPV1 (0.35) TRPV1POLBL3MBTL1ARCYP3A4
SCHEMBL6172700 0.89 TRPV1 (0.46) TRPV1POLBL3MBTL1ARCYP3A4
SCHEMBL6175539 0.88 TRPV1 (0.34) TRPV1POLBL3MBTL1ARCYP3A4
SCHEMBL6172509 0.88 TRPV1 (0.36) MAPTKDM4ETRPV1POLBL3MBTL1
SCHEMBL6175751 0.87 AR (0.41) TRPV1POLBL3MBTL1ARCYP3A4
SCHEMBL6174619 0.85 IGF1R (0.43) MAPTARCYP3A4
SCHEMBL3729343 0.85 MAPK7 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6175201 0.85 MAPK7 (0.39) MAPTKDM4ETRPV1POLBL3MBTL1

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