SCHEMBL1385605

SCHEMBL1385605

Clc1ccc(-c2ccc(CN3CCN(Cc4cc5cnccc5[nH]4)CC3)s2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.56
F2 P00734 1/20 0.41
HRH4 Q9H3N8 1/20 0.39
DRD2 P14416 4/20 0.38
DRD4 P21917 4/20 0.38
DRD3 P35462 4/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
OPRK1 P41145 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
CCNC P24863 3/20 0.36
CDK8 P49336 3/20 0.36
IKBKE Q14164 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
DYRK1A Q13627 1/20 0.35

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
SCHEMBL1653779 0.88 F10 (0.69) F10F2PRMT5WDR77CCNC
SCHEMBL1385198 0.81 F10 (0.49) F10F2DRD2DRD4DRD3
SCHEMBL7407016 0.79 F10 (0.51) F10F2PRMT5WDR77IKBKE
SCHEMBL1655029 0.78 F10 (0.45) F10F2HRH4DRD2DRD4
SCHEMBL1385885 0.78 F10 (0.56) F10F2HRH4DRD2DRD4
SCHEMBL1384293 0.78 F10 (0.49) F10F2PRMT5WDR77CCNC
SCHEMBL4393371 0.77 F10 (0.49) F10F2DRD2DRD3PRMT5
SCHEMBL1653330 0.77 F10 (0.56) F10F2PRMT5WDR77
SCHEMBL1386136 0.77 F10 (0.56) F10F2PRMT5WDR77
SCHEMBL1386836 0.76 F10 (0.62) F10F2PRMT5WDR77

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4829449-B2 2011-12-07 JP claimed
JP-4676613-B2 2011-04-27 JP claimed
JP-2003508353-A 2003-03-04 JP claimed
EP-1051176-A4 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARM PROD INC (US) 2002-06-12 EP claimed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP claimed
JP-2002501024-A 2002-01-15 JP claimed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO claimed
EP-1051176-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 EP claimed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 WO claimed