SCHEMBL6617661

SCHEMBL6617661

CCCNC(=O)n1cccn1.O=C(Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3)n2)c(O)c1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 9/20 0.41
▸ GIPR P48546 5/20 0.41
▸ NAMPT P43490 4/20 0.38
▸ FAAH O00519 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ CTNNB1 P35222 1/20 0.37
▸ TCF7L2 Q9NQB0 1/20 0.37
▸ ABL1 P00519 2/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ MAPT P10636 1/20 0.35

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
SCHEMBL6617662 0.85 GCGR (0.39) GCGRGIPRNAMPTFAAHEPHX2
SCHEMBL6616488 0.83 GCGR (0.43) GCGRGIPRNAMPTFAAHEPHX2
SCHEMBL6615997 0.81 GCGR (0.45) GCGRGIPRNAMPTFAAHEPHX2
SCHEMBL6619980 0.81 GCGR (0.45) GCGRGIPRNAMPTEPHX2CTNNB1
SCHEMBL6615756 0.81 NAMPT (0.42) GCGRGIPRNAMPTFAAHEPHX2
SCHEMBL6619833 0.81 TRPV1 (0.43) GCGRGIPRNAMPTABL1
SCHEMBL6617918 0.81 NAMPT (0.39) GCGRGIPRNAMPTFAAHEPHX2
SCHEMBL6616422 0.80 NAMPT (0.45) GCGRGIPRNAMPTFAAHEPHX2
SCHEMBL6616710 0.80 ABL1 (0.35) GCGRGIPRNAMPTABL1
SCHEMBL6614050 0.80 GCGR (0.43) GCGRGIPRNAMPTEPHX2CTNNB1

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 claimed
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 claimed
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