SCHEMBL6615889

SCHEMBL6615889

O=C(Nc1ccc(-c2cc(C3CC3)n(C(=O)NCc3ccc(Cl)c(Cl)c3)n2)c(O)c1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.45
▸ GCGR P47871 5/20 0.44
▸ GIPR P48546 4/20 0.44
▸ NAMPT P43490 3/20 0.42
▸ ABL1 P00519 6/20 0.42
▸ HPSE Q9Y251 1/20 0.40
▸ TNF P01375 1/20 0.39
▸ NOD2 Q9HC29 1/20 0.39
▸ NOD1 Q9Y239 1/20 0.39
▸ EPHX2 P34913 1/20 0.38

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
SCHEMBL6619043 0.92 SLC2A1 (0.42) TRPV1GCGRGIPRNAMPTABL1
SCHEMBL6616422 0.90 NAMPT (0.45) TRPV1GCGRGIPRNAMPTABL1
SCHEMBL6615997 0.90 GCGR (0.45) TRPV1GCGRGIPRNAMPTABL1
SCHEMBL6619980 0.90 GCGR (0.45) GCGRGIPRNAMPTABL1EPHX2
SCHEMBL6613041 0.88 TRPV1 (0.44) TRPV1GCGRGIPRNAMPTABL1
SCHEMBL6617248 0.88 NR1H4 (0.41) TRPV1NAMPTEPHX2
SCHEMBL6615756 0.88 NAMPT (0.42) GCGRGIPRNAMPTABL1EPHX2
SCHEMBL6616488 0.85 GCGR (0.43) TRPV1GCGRGIPRNAMPTABL1
SCHEMBL6619399 0.85 MAPT (0.47) NAMPTTNFNOD2NOD1
SCHEMBL6618105 0.85 CCR2 (0.40) EPHX2

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
Send feedback