SCHEMBL6175295

SCHEMBL6175295

CC(c1ccnc2c(Cl)cccc12)C1(C(C)c2ccnc3c(Cl)cccc23)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPBWR1 P48145 3/20 0.35
MCHR1 Q99705 2/20 0.35
OPRM1 P35372 1/20 0.34
LIPE Q05469 3/20 0.34
AR P10275 2/20 0.33
TRPV4 Q9HBA0 1/20 0.33
PDE2A O00408 1/20 0.32
HCRTR1 O43613 3/20 0.32
HCRTR2 O43614 3/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 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

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
SCHEMBL6174388 0.90 MAPK7 (0.39) POLBL3MBTL1ARTRPV4PDE2A
SCHEMBL6175936 0.89 GPR139 (0.40) POLBL3MBTL1HCRTR1HCRTR2ALDH1A1
SCHEMBL6173272 0.88 GPR139 (0.34) POLBL3MBTL1ARTRPV4PDE2A
SCHEMBL6177887 0.86 PIK3CG (0.37) POLBL3MBTL1NPBWR1MCHR1OPRM1
SCHEMBL6175751 0.85 AR (0.41) POLBL3MBTL1ARALDH1A1CYP3A4
SCHEMBL6171829 0.85 IGF1R (0.42) ARMAPTCYP2C9
SCHEMBL6173665 0.85 MAPT (0.36) POLBL3MBTL1TRPV4PDE2AALDH1A1
SCHEMBL6176261 0.82 DDR1 (0.38) POLBL3MBTL1NPBWR1MCHR1AR
SCHEMBL6172582 0.80 ALDH1A1 (0.36) POLBL3MBTL1NPBWR1MCHR1LIPE
SCHEMBL6174465 0.79 MAPK7 (0.39) POLBL3MBTL1NPBWR1MCHR1AR

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