SCHEMBL3455692

SCHEMBL3455692

Cc1nc(-c2c(C(F)(F)F)cc[nH]c2=O)sc1C(=O)NCc1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCD O00767 15/20 0.52
CHRM4 P08173 1/20 0.47
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
HPGD P15428 1/20 0.44

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
SCHEMBL3454189 0.90 PPARA (0.55) SCDPPARDPPARAHPGD
SCHEMBL3454191 0.85 RECQL (0.51) SCDCHRM4
SCHEMBL3455045 0.82 SCD (0.57) SCD
SCHEMBL3454462 0.82 SCD (0.51) SCDCHRM4
SCHEMBL3456453 0.82 SCD (0.54) SCDCHRM4HPGD
SCHEMBL3455523 0.81 SCD (0.54) SCDPPARA
SCHEMBL3454672 0.81 SCD (0.53) SCDCHRM4
SCHEMBL3454978 0.80 SCD (0.50) SCD
SCHEMBL12725843 0.77 CYP1A2 (0.72) SCDCHRM4HPGD
SCHEMBL3454995 0.77 SCD (0.58) SCDHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO claimed