SCHEMBL1386985

SCHEMBL1386985

CCC[C@H]1C(=O)N(Cc2ccc3c(N)ncnc3c2)[C@H](C)CN1C(=O)COc1csc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.39
CCR1 P32246 8/20 0.33

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
SCHEMBL1386982 1.00 F10 (0.39) F10CCR1
SCHEMBL1386574 1.00 F10 (0.39) F10CCR1
SCHEMBL1386572 1.00 F10 (0.39) F10CCR1
SCHEMBL1651529 0.91 F10 (0.39) F10CCR1
SCHEMBL4389544 0.91 F10 (0.39) F10CCR1
SCHEMBL1386028 0.89 F10 (0.40) F10CCR1
SCHEMBL1386030 0.89 F10 (0.40) F10CCR1
SCHEMBL1386029 0.89 F10 (0.40) F10CCR1
SCHEMBL1385364 0.88 F10 (0.41) F10CCR1
SCHEMBL1386179 0.88 F10 (0.41) F10CCR1

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