SCHEMBL1385482

SCHEMBL1385482

COCC1CN(C(=O)COc2ccc(Cl)s2)CC(=O)N1Cc1ccc2c(N)ncnc2c1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.47
POLB P06746 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL1386506 1.00 F10 (0.47) F10POLBCYP2C19
SCHEMBL1385481 1.00 F10 (0.47) F10POLBCYP2C19
SCHEMBL1651782 0.90 F10 (0.48) F10POLBCYP2C19
SCHEMBL1652770 0.89 F10 (0.57) F10POLBCYP2C19
SCHEMBL1652767 0.87 F10 (0.48) F10POLBCYP2C19
SCHEMBL1655098 0.86 F10 (0.48) F10POLBCYP2C19
SCHEMBL1384869 0.86 F10 (0.42) F10
SCHEMBL4395010 0.83 F10 (0.40) F10
SCHEMBL1653034 0.83 F10 (0.40) F10
SCHEMBL1652492 0.82 F10 (0.41) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4829449-B2 2011-12-07 JP claimed
JP-2003508353-A 2003-03-04 JP claimed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP claimed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO claimed