SCHEMBL2792233

SCHEMBL2792233

COc1ccc2c(c1)C(NC(=O)C(F)(F)F)C[C@@H]2O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
GAA P10253 1/20 0.62
MTNR1A P48039 12/20 0.48
MTNR1B P49286 12/20 0.48
NQO2 P16083 7/20 0.48
HTT P42858 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL1686377 1.00 LMNA (0.62) LMNAGAAMTNR1AMTNR1BNQO2
SCHEMBL1686373 1.00 LMNA (0.62) LMNAGAAMTNR1AMTNR1BNQO2
SCHEMBL1686424 1.00 LMNA (0.62) LMNAGAAMTNR1AMTNR1BNQO2
SCHEMBL1686422 1.00 LMNA (0.62) LMNAGAAMTNR1AMTNR1BNQO2
SCHEMBL1686374 1.00 LMNA (0.62) LMNAGAAMTNR1AMTNR1BNQO2
SCHEMBL2979829 0.87 LMNA (0.48) LMNAGAAMTNR1AMTNR1BNQO2
SCHEMBL2979831 0.87 LMNA (0.48) LMNAGAAMTNR1AMTNR1BNQO2
SCHEMBL2979826 0.87 LMNA (0.48) LMNAGAAMTNR1AMTNR1BNQO2
SCHEMBL2983063 0.85 LMNA (0.58) LMNAGAAMTNR1AMTNR1BNQO2
SCHEMBL2976822 0.85 LMNA (0.58) LMNAGAAMTNR1AMTNR1BNQO2

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-2185530-A1 5-PHENYL-ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES AS TRPV1 MODULATORS N.V. Organon (NL) 2010-05-19 EP disclosed
WO-2009016241-A1 5-PHENYL-ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES AS TRPV1 MODULATORS N.V. ORGANON (NL) 2009-02-05 WO disclosed