SCHEMBL472990

SCHEMBL472990

CCC(C(=O)O)n1nnnc1-c1nnc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)s1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCD O00767 9/20 0.57
RBP4 P02753 1/20 0.49
TTR P02766 1/20 0.49

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
SCHEMBL473044 0.86 SCD (0.57) SCDRBP4TTR
SCHEMBL472988 0.85 SCD (0.61) SCD
SCHEMBL473051 0.84 SCD (0.61) SCD
SCHEMBL4543744 0.83 SCD (0.62) SCDRBP4TTR
SCHEMBL3592041 0.76 SCD (0.61) SCDRBP4TTR
SCHEMBL473009 0.76 SCD (0.71) SCD
SCHEMBL9994208 0.74 SCD (0.61) SCD
SCHEMBL4087574 0.73 SCD (0.60) SCD
SCHEMBL14870441 0.73 SCD (0.60) SCD
SCHEMBL4097116 0.72 SCD (0.69) 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 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