SCHEMBL3946609

SCHEMBL3946609

CC(C(O)c1ccccc1)N(C)C(=O)Oc1cnc(N(C)Cc2ccccc2)nc1-c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 6/20 0.43
CASR P41180 3/20 0.38
GAA P10253 1/20 0.38
TSPO P30536 2/20 0.37

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
SCHEMBL3951253 0.89 NPY5R (0.46) NPY5RCASRGAA
SCHEMBL3951648 0.80 TSPO (0.37) CASRTSPO
SCHEMBL1384551 0.79 CASR (0.46) CASR
SCHEMBL3945147 0.78 TSPO (0.37) CASRGAATSPO
SCHEMBL3443137 0.75 CASR (0.44) CASRTSPO
SCHEMBL3946983 0.73 CASR (0.43) CASRTSPO
SCHEMBL3943937 0.73 NPY5R (0.47) NPY5RCASRGAA
SCHEMBL3951753 0.73 CASR (0.37) CASR
SCHEMBL4036518 0.72 CASR (0.40) CASR
SCHEMBL3442709 0.72 ATM (0.50) CASR

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
EP-1718632-B1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SANOFI AVENTIS (FR) 2009-04-22 EP claimed