SCHEMBL3713844

SCHEMBL3713844

CC(C)[C@H](C)NC(=O)c1onc(-c2ccc(C(F)(F)F)cc2)c1Cl.C[C@H](CCO)NC(=O)c1onc(-c2ccc(C(F)(F)F)cc2)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.54
HDAC4 P56524 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
LMNA P02545 1/20 0.37
STAT3 P40763 1/20 0.37
STAT1 P42224 1/20 0.37

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
SCHEMBL2118396 0.91 TRPV1 (0.57) TRPV1STAT3STAT1
SCHEMBL2118393 0.91 TRPV1 (0.57) TRPV1STAT3STAT1
SCHEMBL2117707 0.80 TRPV1 (0.56) TRPV1STAT3STAT1
SCHEMBL2117703 0.80 TRPV1 (0.56) TRPV1STAT3STAT1
SCHEMBL2118870 0.79 TRPV1 (0.62) TRPV1HDAC4HDAC6STAT3STAT1
SCHEMBL2118874 0.79 TRPV1 (0.62) TRPV1HDAC4HDAC6STAT3STAT1
SCHEMBL1686273 0.74 TRPV1 (0.72) TRPV1
SCHEMBL1686272 0.74 TRPV1 (0.72) TRPV1
SCHEMBL2120590 0.72 TRPV1 (0.58) TRPV1STAT3STAT1
SCHEMBL2120127 0.71 TRPV1 (0.52) TRPV1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393788-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES N.V. Organon (NL) 2011-12-14 EP claimed
WO-2010089297-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2010-08-12 WO claimed
EP-2393788-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES N.V. Organon (NL) 2011-12-14 EP disclosed
WO-2010089297-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2010-08-12 WO disclosed