SCHEMBL6616422

SCHEMBL6616422

O=C(Nc1ccc(-c2cc(C3CC3)n(C(=O)NCc3ccc(F)cc3)n2)c(O)c1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 3/20 0.45
▸ GCGR P47871 4/20 0.44
▸ GIPR P48546 3/20 0.44
▸ ABL1 P00519 4/20 0.42
▸ CXCR2 P25025 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.41
▸ CTNNB1 P35222 1/20 0.40
▸ TCF7L2 Q9NQB0 1/20 0.40
▸ IDH1 O75874 1/20 0.40
▸ EPHX2 P34913 2/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ SLC2A1 P11166 1/20 0.40
▸ FAAH O00519 1/20 0.40
▸ DDR1 Q08345 1/20 0.39
▸ DDR2 Q16832 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
SCHEMBL6619980 0.93 GCGR (0.45) NAMPTGCGRGIPRABL1CTNNB1
SCHEMBL6615997 0.93 GCGR (0.45) NAMPTGCGRGIPRABL1TRPV1
SCHEMBL6615889 0.90 TRPV1 (0.45) NAMPTGCGRGIPRABL1TRPV1
SCHEMBL6618316 0.90 MAPT (0.42) NAMPTCTNNB1TCF7L2
SCHEMBL6616488 0.89 GCGR (0.43) NAMPTGCGRGIPRABL1TRPV1
SCHEMBL6615882 0.88 NR1H4 (0.41) NAMPTTRPV1CTNNB1TCF7L2EPHX2
SCHEMBL6615756 0.88 NAMPT (0.42) NAMPTGCGRGIPRABL1EPHX2
SCHEMBL6617918 0.87 NAMPT (0.39) NAMPTGCGRGIPRABL1CXCR2
SCHEMBL6614050 0.86 GCGR (0.43) NAMPTGCGRGIPRABL1TRPV1
SCHEMBL6613041 0.86 TRPV1 (0.44) NAMPTGCGRGIPRABL1TRPV1

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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