SCHEMBL1386705

SCHEMBL1386705

CCC[C@H]1C(=O)N(Cc2ccc3c(N)ncnc3c2)[C@@H](C)CN1C(=O)COc1ccc(Cl)s1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.41
CCR1 P32246 7/20 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
SCHEMBL1385365 1.00 F10 (0.41) F10CCR1
SCHEMBL1385367 1.00 F10 (0.41) F10CCR1
SCHEMBL1385364 1.00 F10 (0.41) F10CCR1
SCHEMBL4390208 0.94 F10 (0.42) F10CCR1
SCHEMBL1654426 0.94 F10 (0.42) F10CCR1
SCHEMBL1652492 0.91 F10 (0.41) F10CCR1
SCHEMBL4392691 0.91 F10 (0.41) F10CCR1
SCHEMBL1386030 0.89 F10 (0.40) F10CCR1
SCHEMBL1386028 0.89 F10 (0.40) F10CCR1
SCHEMBL1386029 0.89 F10 (0.40) 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