SCHEMBL473027

SCHEMBL473027

CCC(C(=O)O)n1ccc(-c2nc(N3CCC(Oc4cc(F)ccc4Br)CC3)no2)n1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCD O00767 15/20 0.46
SCD5 Q86SK9 1/20 0.42
GPR6 P46095 1/20 0.35

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 0.86 SCD (0.49) SCDSCD5
SCHEMBL472977 0.85 SCD (0.47) SCDSCD5
SCHEMBL473006 0.84 SCD (0.46) SCDSCD5
SCHEMBL473068 0.84 SCD (0.54) SCDSCD5
SCHEMBL473057 0.83 SCD (0.49) SCDSCD5
SCHEMBL473024 0.81 SCD (0.43) SCDSCD5
SCHEMBL27765624 0.77 SCD (0.55) SCDSCD5
SCHEMBL368859 0.77 SCD (0.55) SCDSCD5
SCHEMBL473030 0.75 SCD (0.52) SCDSCD5
SCHEMBL12130300 0.75 SCD (0.73) 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