SCHEMBL472977

SCHEMBL472977

CCC(C(=O)O)n1ccc(-c2nc(N3CCC(Oc4cc(F)ccc4Br)CC3)no2)c1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCD O00767 16/20 0.47
SCD5 Q86SK9 1/20 0.42

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
SCHEMBL472996 0.87 SCD (0.49) SCDSCD5
SCHEMBL473027 0.85 SCD (0.46) SCDSCD5
SCHEMBL473006 0.85 SCD (0.46) SCDSCD5
SCHEMBL368859 0.84 SCD (0.55) SCDSCD5
SCHEMBL27787024 0.82 SCD (0.45) SCDSCD5
SCHEMBL27787023 0.82 SCD (0.46) SCDSCD5
SCHEMBL473074 0.78 SCD (0.54) SCDSCD5
SCHEMBL3591972 0.77 SCD (0.76) SCDSCD5
SCHEMBL473068 0.76 SCD (0.54) SCDSCD5
SCHEMBL27765624 0.76 SCD (0.55) 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