SCHEMBL6016899

SCHEMBL6016899

O=C(OCC1CC1)c1cccc2nc[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA4 P43681 2/20 0.39
CLEC4M Q9H2X3 1/20 0.38
DHFR P00374 1/20 0.37
HTR4 Q13639 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
SCHEMBL4081935 0.81 CLEC4M (0.57) CLEC4M
SCHEMBL6016867 0.80 CLEC4M (0.40) CLEC4M
SCHEMBL6016896 0.79 PARP1 (0.57)
SCHEMBL1382500 0.77 TSHR (0.56) CLEC4M
SCHEMBL11789735 0.76 TSHR (0.57) CLEC4M
SCHEMBL536590 0.76 KDM4E (0.46)
Potassium SCHEMBL29729324 0.75 KDM4E (0.45)
SCHEMBL453513 0.72 KEAP1 (0.49)
SCHEMBL2509536 0.71 SLC6A2 (0.39)
SCHEMBL9087577 0.71 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636216-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 EP disclosed
WO-2004101553-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO disclosed