SCHEMBL6252807

SCHEMBL6252807

CC(C)c1nc(C2CCN(C(C)C)C(C(N)=O)C2)c(C(=O)O)n1Cc1cc(-c2ccc(Cl)s2)on1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.45
F2 P00734 2/20 0.45
KLK1 P06870 1/20 0.45

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
SCHEMBL6254590 0.91 F10 (0.45) F10F2KLK1
SCHEMBL6252590 0.90 F10 (0.45) F10F2KLK1
SCHEMBL6256042 0.89 F10 (0.43) F10F2KLK1
SCHEMBL6256339 0.89 F10 (0.43) F10F2KLK1
SCHEMBL6252129 0.88 F10 (0.48) F10F2KLK1
SCHEMBL6254003 0.87 F10 (0.44) F10F2KLK1
SCHEMBL6254082 0.87 F10 (0.42) F10F2KLK1
SCHEMBL6428965 0.87 F10 (0.45) F10F2KLK1
SCHEMBL6278335 0.86 F10 (0.46) F10F2KLK1
SCHEMBL6251557 0.84 F10 (0.43) F10F2KLK1

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-1569927-A2 IMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2005-09-07 EP disclosed
WO-2004050636-A2 IMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-17 WO disclosed