SCHEMBL25360

SCHEMBL25360

O=C(NCCCC1CC1)c1nnc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)o1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCD O00767 14/20 0.69
DCTPP1 Q9H773 1/20 0.50

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
SCHEMBL25402 0.89 SCD (0.68) SCDDCTPP1
SCHEMBL25483 0.88 SCD (0.69) SCDDCTPP1
SCHEMBL15225460 0.85 SCD (0.61) SCDDCTPP1
SCHEMBL1377032 0.81 SCD (1.00) SCDDCTPP1
SCHEMBL24230 0.81 SCD (0.71) SCDDCTPP1
SCHEMBL24735 0.80 SCD (0.57) SCDDCTPP1
SCHEMBL1380562 0.79 SCD (1.00) SCDDCTPP1
SCHEMBL1379383 0.78 SCD (0.93) SCDDCTPP1
SCHEMBL1377463 0.77 SCD (0.75) SCDDCTPP1
SCHEMBL24322 0.76 SCD (0.49) 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