SCHEMBL7228141

SCHEMBL7228141

NC(=O)CNc1ccnc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 13/20 0.46
ADORA3 P0DMS8 1/20 0.44
FPR2 P25090 1/20 0.43
SCN9A Q15858 1/20 0.43
NR3C2 P08235 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
MAPK1 P28482 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.42
CYP2C19 P33261 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42

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
SCHEMBL7229917 0.78 ADORA3 (0.58) ADORA3FPR2SCN9AALDH1A1
SCHEMBL3725622 0.75 SCN9A (0.55) TRPV3FPR2SCN9A
SCHEMBL19956186 0.75 SCN9A (0.78) FPR2SCN9A
SCHEMBL3429809 0.73 FAAH (0.62) TRPV3CYP2D6
SCHEMBL28931217 0.72 L3MBTL1 (0.57) ADORA3L3MBTL1ALDH1A1
SCHEMBL24279571 0.71 KIF11 (0.54)
SCHEMBL893266 0.71 TRPV3 (0.47) TRPV3SCN9A
SCHEMBL8030882 0.70 TRPV3 (0.51) TRPV3
SCHEMBL3794168 0.70 TRPV3 (0.48) TRPV3SCN9A
SCHEMBL27920440 0.69 CCRL2 (0.51) SCN9ANR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620817-B1 Antiinflammatory, antiarthritic agents; autoimmune and rheumatic diseases DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2003-09-16 US disclosed
EP-1236721-A1 5-CHLORO-6-PHENYL-2-(4-TRIFLUOROMETHYLPHENYL)-4-PYRIMIDINYLAMINO]ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATE OF THESE COMPOUNDS Dainippon Pharmaceutical Co., Ltd. (JP) 2002-09-04 EP disclosed
JP-2001139558-A [2-(4-TRIFLUOROMETHYLPHENYL)-4- PYRIMIDINYLAMINO]ACETAMIDE DERIVATIVE DAINIPPON PHARMACEUT CO LTD 2001-05-22 JP disclosed
JP-2001139558-A [2-(4-TRIFLUOROMETHYLPHENYL)-4- PYRIMIDINYLAMINO]ACETAMIDE DERIVATIVE DAINIPPON PHARMACEUT CO LTD 2001-05-22 JP disclosed