SCHEMBL26470

SCHEMBL26470

O=C(NCCC1CC1)c1nnc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)s1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCD O00767 16/20 0.70
DCTPP1 Q9H773 1/20 0.54

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
SCHEMBL24230 0.95 SCD (0.71) SCDDCTPP1
SCHEMBL27021 0.87 SCD (0.67) SCDDCTPP1
SCHEMBL25586 0.87 SCD (0.56) SCDDCTPP1
SCHEMBL24671 0.86 SCD (0.71) SCDDCTPP1
SCHEMBL25576 0.86 SCD (0.71) SCDDCTPP1
SCHEMBL25378 0.86 SCD (0.71) SCDDCTPP1
SCHEMBL15225478 0.86 SCD (0.63) SCDDCTPP1
SCHEMBL25261 0.86 SCD (0.71) SCDDCTPP1
SCHEMBL26039 0.86 SCD (0.71) SCDDCTPP1
SCHEMBL4091944 0.85 SCD (0.72) SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919496-B2 5-[4-(2-Trifluoromethylbenzoyl)piperazin-1-yl]-[1,3,4]thiadiazole-2-carboxylic acid ethyl ester; metabolic disorders type II diabetes, impaired glucose tolerance, insulin resistance, obesity, fatty liver, non-alcoholic steatohepatitis, dyslipidemia and metabolic syndrome; cardiovascular disorders XENON PHARMACEUTICALS INC. (CA) 2011-04-05 US claimed
US-7919496-B2 5-[4-(2-Trifluoromethylbenzoyl)piperazin-1-yl]-[1,3,4]thiadiazole-2-carboxylic acid ethyl ester; metabolic disorders type II diabetes, impaired glucose tolerance, insulin resistance, obesity, fatty liver, non-alcoholic steatohepatitis, dyslipidemia and metabolic syndrome; cardiovascular disorders XENON PHARMACEUTICALS INC. (CA) 2011-04-05 US disclosed
EP-2289510-A1 Heterocyclic derivatives for the treatment of diseases mediated by stearoyl-coa desaturase enzymes Xenon Pharmaceuticals Inc. (CA) 2011-03-02 EP disclosed