SCHEMBL1387009

SCHEMBL1387009

CC(C)C[C@H]1C(=O)N(Cc2ccc3c(N)ncnc3c2)CCN1CC=Cc1ccc(Cl)s1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.44
ELANE P08246 1/20 0.33
DGAT1 O75907 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
SCHEMBL1387007 1.00 F10 (0.44) F10ELANEDGAT1
SCHEMBL4397952 0.91 F10 (0.46) F10DGAT1
SCHEMBL1652699 0.91 F10 (0.46) F10DGAT1
SCHEMBL1652542 0.89 F10 (0.44) F10DGAT1
SCHEMBL1652544 0.89 F10 (0.44) F10DGAT1
SCHEMBL4392806 0.88 F10 (0.47) F10DGAT1
SCHEMBL1652586 0.88 F10 (0.47) F10DGAT1
SCHEMBL1385735 0.88 F10 (0.43) F10DGAT1
SCHEMBL4388598 0.88 F10 (0.43) F10DGAT1
SCHEMBL4388594 0.88 F10 (0.43) F10DGAT1

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