SCHEMBL6615941

SCHEMBL6615941

CC(C)NC(=O)n1nc(-c2cc(NC(=O)c3ccc(OC(F)(F)F)cc3)ccc2O)cc1C1CCC1.CCNC(=O)n1nc(-c2cc(NC(=O)c3ccc(OC(F)(F)F)cc3)ccc2O)cc1C1CCC1.NC(=O)n1cccn1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 5/20 0.37
▸ GIPR P48546 4/20 0.37
▸ ABL1 P00519 10/20 0.36
▸ TRPV1 Q8NER1 2/20 0.36
▸ MAPT P10636 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ DDR1 Q08345 1/20 0.33
▸ DDR2 Q16832 1/20 0.33

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
SCHEMBL6617918 0.85 NAMPT (0.39) GCGRGIPRABL1DDR1DDR2
SCHEMBL6616710 0.85 ABL1 (0.35) GCGRGIPRABL1TRPV1DDR1
SCHEMBL6615303 0.83 GCGR (0.40) GCGRGIPRABL1TRPV1MAPT
SCHEMBL6617017 0.80 KMT2A (0.44) MAPT
SCHEMBL6617914 0.79 KMT2A (0.47) MAPT
SCHEMBL6614050 0.79 GCGR (0.43) GCGRGIPRABL1TRPV1
SCHEMBL6615591 0.79 RAB9A (0.39) MAPTMCHR1
SCHEMBL6617661 0.78 GCGR (0.41) GCGRGIPRABL1MAPT
SCHEMBL6616663 0.78 RAB9A (0.39) MAPTMCHR1
SCHEMBL6617186 0.77 GCGR (0.44) GCGRGIPRABL1TRPV1

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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