SCHEMBL1385885

SCHEMBL1385885

Clc1ccc2cc(CN3CCN(Cc4cc5cnccc5[nH]4)CC3)sc2c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.56
F2 P00734 2/20 0.56
DRD4 P21917 4/20 0.39
DRD3 P35462 3/20 0.39
DRD2 P14416 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
SIGMAR1 Q99720 3/20 0.37
DRD5 P21918 1/20 0.37
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL4392648 0.87 F10 (0.66) F10F2
SCHEMBL1653420 0.84 F10 (0.53) F10F2DRD3DRD2HRH4
SCHEMBL7408155 0.81 F10 (0.51) F10F2HRH4
SCHEMBL7408159 0.81 F10 (0.51) F10F2HRH4
SCHEMBL1385605 0.78 F10 (0.56) F10F2DRD4DRD3DRD2
SCHEMBL1654883 0.77 DRD4 (0.47) F10F2DRD4DRD3DRD2
SCHEMBL1653577 0.73 F10 (0.77) F10F2
SCHEMBL29941543 0.73 HRH4 (0.46) F10F2DRD4DRD3DRD2
SCHEMBL4387736 0.73 F10 (0.67) F10F2
SCHEMBL1384898 0.73 F10 (1.00) F10F2

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