SCHEMBL6016811

SCHEMBL6016811

CC(C)N1CCC(N)CC1.COC1CN(C(=O)c2cccc3c2nc(C(=O)O)n3CCc2ccc(Cl)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.42
PARP1 P09874 6/20 0.35
PARP2 Q9UGN5 1/20 0.35
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
F2 P00734 1/20 0.33
AVPR1B P47901 1/20 0.33
MC4R P32245 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL3792281 0.89 PDE4A (0.40) F10PARP1PDE4APDE4BPDE4C
SCHEMBL1380869 0.87 F10 (0.55) F10PARP1F2
SCHEMBL3795899 0.79 C5AR1 (0.38) F10PARP1
SCHEMBL1379748 0.78 F10 (0.57) F10PARP1F2
SCHEMBL1380973 0.76 F10 (0.62) F10PARP1F2
SCHEMBL3794629 0.74 F10 (0.61) F10PARP1F2
SCHEMBL6016927 0.71 F10 (0.55) F10F2
SCHEMBL6016887 0.70 F10 (0.50) F10F2
SCHEMBL6016953 0.68 F10 (0.55) F10F2
SCHEMBL6016954 0.67 F10 (0.55) 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 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