SCHEMBL6616488

SCHEMBL6616488

O=C(Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3cccc(F)c3)n2)c(O)c1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 5/20 0.43
▸ GIPR P48546 4/20 0.43
▸ NAMPT P43490 5/20 0.42
▸ ABL1 P00519 5/20 0.41
▸ AURKA O14965 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ FAAH O00519 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ DDR1 Q08345 1/20 0.39
▸ DDR2 Q16832 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39

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
SCHEMBL6615756 0.89 NAMPT (0.42) GCGRGIPRNAMPTABL1AURKA
SCHEMBL6616422 0.89 NAMPT (0.45) GCGRGIPRNAMPTABL1TRPV1
SCHEMBL6615537 0.89 LMNA (0.45) NAMPTEPHX2
SCHEMBL6651122 0.88 NAMPT (0.40) GCGRGIPRNAMPTABL1AURKA
SCHEMBL6619833 0.88 TRPV1 (0.43) GCGRGIPRNAMPTABL1TRPV1
SCHEMBL6618083 0.87 NAMPT (0.46) NAMPT
SCHEMBL6614876 0.86 MEN1 (0.43) NAMPT
SCHEMBL6615889 0.85 TRPV1 (0.45) GCGRGIPRNAMPTABL1TRPV1
SCHEMBL6615997 0.85 GCGR (0.45) GCGRGIPRNAMPTABL1TRPV1
SCHEMBL6619980 0.85 GCGR (0.45) GCGRGIPRNAMPTABL1EPHX2

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-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP disclosed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO disclosed
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