SCHEMBL6617186

SCHEMBL6617186

CCC(C)NC(=O)n1nc(-c2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2O)cc1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 5/20 0.44
▸ GIPR P48546 4/20 0.44
▸ TRPV1 Q8NER1 3/20 0.43
▸ ABL1 P00519 6/20 0.42
▸ NAMPT P43490 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ EPHX2 P34913 3/20 0.40

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
SCHEMBL6615259 0.88 MEN1 (0.40) TRPV1NAMPTNPC1RAB9A
SCHEMBL6616697 0.86 KMT2A (0.44) NPC1RAB9A
SCHEMBL6615959 0.85 P2RY14 (0.41) NAMPTNPC1RAB9A
SCHEMBL6615338 0.84 RAF1 (0.44) RAB9A
SCHEMBL6615997 0.83 GCGR (0.45) GCGRGIPRTRPV1ABL1NAMPT
SCHEMBL6619980 0.83 GCGR (0.45) GCGRGIPRABL1NAMPTNPC1
SCHEMBL6616422 0.82 NAMPT (0.45) GCGRGIPRTRPV1ABL1NAMPT
SCHEMBL6616710 0.82 ABL1 (0.35) GCGRGIPRTRPV1ABL1NAMPT
SCHEMBL6615051 0.82 SCN2A (0.42) GCGRGIPRTRPV1ABL1NAMPT
SCHEMBL6604618 0.82 RAB9A (0.40) TRPV1NPC1RAB9A

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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