SCHEMBL1385319

SCHEMBL1385319

Nc1ncnc2cc(CN3CCN(C(=O)C=Cc4cc(Cl)cs4)[C@@H](CO)C3=O)ccc12

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.45
DGAT1 O75907 1/20 0.34
CCR1 P32246 1/20 0.30

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
SCHEMBL1385317 1.00 F10 (0.45) F10DGAT1CCR1
SCHEMBL4390761 0.93 F10 (0.44) F10DGAT1CCR1
SCHEMBL1652700 0.93 F10 (0.44) F10DGAT1CCR1
SCHEMBL1652283 0.92 F10 (0.43) F10DGAT1CCR1
SCHEMBL4387258 0.92 F10 (0.43) F10DGAT1CCR1
SCHEMBL1653043 0.91 F10 (0.43) F10DGAT1CCR1
SCHEMBL4387037 0.91 F10 (0.43) F10DGAT1CCR1
SCHEMBL4395406 0.91 F10 (0.46) F10DGAT1CCR1
SCHEMBL1651370 0.91 F10 (0.46) F10DGAT1CCR1
SCHEMBL27572627 0.90 F10 (0.42) F10DGAT1CCR1

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