SCHEMBL1386178

SCHEMBL1386178

CCC[C@@H]1C(=O)N(Cc2ccc3c(N)ncnc3c2)[C@@H](C)CN1C(=O)COc1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.41
CCR1 P32246 6/20 0.37
FKBP1A P62942 1/20 0.34
MCHR1 Q99705 1/20 0.34
MAPT P10636 1/20 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
SCHEMBL1386181 1.00 F10 (0.41) F10CCR1FKBP1AMCHR1MAPT
SCHEMBL1386179 1.00 F10 (0.41) F10CCR1FKBP1AMCHR1MAPT
SCHEMBL1651577 0.91 F10 (0.41) F10CCR1FKBP1AMCHR1MAPT
SCHEMBL4399428 0.91 F10 (0.41) F10CCR1FKBP1AMCHR1MAPT
SCHEMBL1386982 0.88 F10 (0.39) F10CCR1
SCHEMBL1386574 0.88 F10 (0.39) F10CCR1
SCHEMBL1386985 0.88 F10 (0.39) F10CCR1
SCHEMBL1386572 0.88 F10 (0.39) F10CCR1
SCHEMBL1651555 0.87 F10 (0.44) F10FKBP1AMCHR1MAPT
SCHEMBL4393648 0.87 F10 (0.44) F10FKBP1AMCHR1MAPT

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