SCHEMBL10146530

SCHEMBL10146530

O=C1OC2(CCN(c3ccc(-c4nc5cc(Cl)ccc5[nH]4)cc3F)CC2)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.62
NPY5R Q15761 17/20 0.57
CYP2C9 P11712 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
SCHEMBL10147216 0.87 DGAT1 (0.65) DGAT1NPY5RCYP2C9
SCHEMBL10146443 0.84 DGAT1 (0.87) DGAT1NPY5RCYP2C9
SCHEMBL5786275 0.81 NPY5R (0.85) NPY5R
SCHEMBL10146489 0.75 DGAT1 (0.88) DGAT1NPY5RCYP2C9
SCHEMBL10146480 0.75 DGAT1 (0.77) DGAT1NPY5RCYP2C9
SCHEMBL4789172 0.73 NPY5R (0.85) NPY5R
SCHEMBL10147136 0.73 DGAT1 (0.73) DGAT1NPY5RCYP2C9
SCHEMBL10146482 0.72 DGAT1 (0.88) DGAT1NPY5RCYP2C9
SCHEMBL10146550 0.72 DGAT1 (0.69) DGAT1NPY5RCYP2C9
SCHEMBL4789175 0.72 NPY5R (1.00) NPY5R

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012009217-A1 SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO disclosed