SCHEMBL4397329

SCHEMBL4397329

O=C1CNCCN1Cc1cc2cnccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.51
F2 P00734 2/20 0.48
PRMT5 O14744 2/20 0.44
WDR77 Q9BQA1 2/20 0.44
DAO P14920 1/20 0.41
HRH4 Q9H3N8 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
CDK4 P11802 1/20 0.38
CDK6 Q00534 1/20 0.38
NAMPT P43490 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
Tert-Butyl Formate SCHEMBL27572914 0.89 F10 (0.45) F10F2PRMT5WDR77HRH4
SCHEMBL1653323 0.81 F10 (0.58) F10F2PRMT5WDR77DAO
SCHEMBL29941543 0.79 HRH4 (0.46) F10F2PRMT5WDR77DAO
SCHEMBL1653675 0.77 F10 (0.55) F10F2PRMT5WDR77DAO
SCHEMBL4388417 0.77 F10 (0.45) F10F2PRMT5WDR77DAO
SCHEMBL1653300 0.75 F10 (0.53) F10F2PRMT5WDR77DAO
SCHEMBL27526711 0.75 F10 (0.73) F10F2NAMPT
SCHEMBL6221371 0.75 F10 (0.50) F10F2PRMT5WDR77DAO
SCHEMBL7374564 0.75 F10 (0.50) F10F2PRMT5WDR77DAO
SCHEMBL4393480 0.74 F10 (0.49) F10CDK4CDK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed
EP-1051176-A4 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARM PROD INC (US) 2002-06-12 EP disclosed
CN-1291892-A Substituted oxoazaheterocyclyl factor Xa inhibitors AWENTIS PHARMACEUTICAL INC (US) 2001-04-18 CN disclosed
EP-1051176-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 EP disclosed
WO-2000032590-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-08 WO disclosed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 WO disclosed