SCHEMBL473052

SCHEMBL473052

CCC(C(=O)O)n1nnc(-c2cc(N3CCC(Oc4cc(F)ccc4Br)CC3)no2)n1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCD O00767 15/20 0.73
SCD5 Q86SK9 3/20 0.47

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
SCHEMBL473023 0.86 SCD (0.54) SCDSCD5
SCHEMBL3102945 0.86 SCD (0.54) SCDSCD5
Mk-8245 SCHEMBL472978 0.85 SCD (1.00) SCDSCD5
Mk-8245 SCHEMBL29385507 0.85 SCD (1.00) SCDSCD5
SCHEMBL18058595 0.84 SCD (0.86) SCDSCD5
SCHEMBL473059 0.83 SCD (0.73) SCDSCD5
SCHEMBL473000 0.82 SCD (0.49) SCDSCD5
SCHEMBL3320581 0.82 SCD (0.50) SCDSCD5
SCHEMBL3320580 0.82 SCD (0.50) SCDSCD5
SCHEMBL3320588 0.82 SCD (0.50) SCDSCD5

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-2099793-B1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK CANADA INC (CA) 2012-02-01 EP disclosed
US-8063224-B2 [5-(5-{4-[2-(Trifluoromethyl)phenoxy]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)-2H-tetrazol-2-yl]acetic acid; metabolic disorders,antidiabetic, hypoglycemic agent; obesity, insulin resistance, liver steatosis, atherosclerosis, neurological disease, dyslipidemia, hyperlipidemia, low HDL, and high LDL MERCK CANADA INC. (CA) 2011-11-22 US disclosed