SCHEMBL1385065

SCHEMBL1385065

CCC[C@H]1C(=O)N(Cc2cc3cnccc3[nH]2)CCN1Cc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.46
F2 P00734 2/20 0.41
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
CYP19A1 P11511 4/20 0.35
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
TACR1 P25103 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
SCHEMBL1385114 0.83 F10 (0.49) F10F2
SCHEMBL1385552 0.78 F10 (0.54) F10F2KDM4E
SCHEMBL1385551 0.78 F10 (0.54) F10F2KDM4E
SCHEMBL1385169 0.78 F10 (0.41) F10F2MAPT
SCHEMBL1385962 0.76 F10 (0.52) F10F2KDM4E
SCHEMBL1385601 0.76 F10 (0.51) F10F2
SCHEMBL1385600 0.76 F10 (0.51) F10F2
SCHEMBL1386136 0.75 F10 (0.56) F10F2KDM4E
SCHEMBL1386737 0.75 F10 (0.52) F10F2KDM4E
SCHEMBL1386675 0.74 F10 (0.51) F10F2KDM4E

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