SCHEMBL6613041

SCHEMBL6613041

O=C(Nc1ccc(-c2cc(C3CC3)n(C(=O)NCc3ccccc3Cl)n2)c(O)c1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ EPHX2 P34913 3/20 0.43
▸ NR1H4 Q96RI1 1/20 0.41
▸ ACKR3 P25106 1/20 0.41
▸ GCGR P47871 4/20 0.41
▸ NAMPT P43490 3/20 0.41
▸ GIPR P48546 3/20 0.41
▸ HPSE Q9Y251 1/20 0.40
▸ ABL1 P00519 4/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL6615051 0.91 SCN2A (0.42) TRPV1MAPTGCGRNAMPTGIPR
SCHEMBL6619833 0.89 TRPV1 (0.43) TRPV1GCGRNAMPTGIPRABL1
SCHEMBL6615889 0.88 TRPV1 (0.45) TRPV1EPHX2GCGRNAMPTGIPR
SCHEMBL6605931 0.88 ACKR3 (0.43) TRPV1MAPTEPHX2NR1H4ACKR3
SCHEMBL6616422 0.86 NAMPT (0.45) TRPV1EPHX2NR1H4GCGRNAMPT
SCHEMBL6617192 0.85 MAPT (0.43) MAPTEPHX2NR1H4ACKR3NAMPT
SCHEMBL6615997 0.85 GCGR (0.45) TRPV1EPHX2NR1H4GCGRNAMPT
SCHEMBL6619980 0.85 GCGR (0.45) EPHX2NR1H4ACKR3GCGRNAMPT
SCHEMBL6616371 0.85 ACKR3 (0.43) MAPTACKR3LMNASMN1; SMN2
SCHEMBL6615756 0.85 NAMPT (0.42) EPHX2NR1H4GCGRNAMPTGIPR

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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