SCHEMBL6969507

SCHEMBL6969507

CCOC(=O)[C@H](CNC(=O)CNC(=O)C(CCC1CCN(C(=O)O)CC1)CCC1CCN(C(=O)OC(C)(C)C)CC1)NS(=O)(=O)c1cccc2c(N(C)C)cccc12

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
F2 P00734 2/20 0.39
GLB1 P16278 1/20 0.38

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
SCHEMBL6975825 0.91 ITGB3 (0.44) ITGB3ITGA2BF2
SCHEMBL6974976 0.89 CCR8 (0.40)
SCHEMBL6963513 0.89 GPR119 (0.41)
SCHEMBL6964615 0.88 CCR8 (0.42)
SCHEMBL7951214 0.87 TGFBR1 (0.44)
SCHEMBL6976930 0.86 TGFBR1 (0.45) F2
SCHEMBL6959037 0.85 F2 (0.38) F2
SCHEMBL6962633 0.85 MMP13 (0.49) ITGB3ITGA2B
SCHEMBL6967108 0.85 GAA (0.45) F2
SCHEMBL6964258 0.85 MMP13 (0.50)

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-1098878-B1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS CEPHALON FRANCE (FR) 2003-12-17 EP disclosed
US-6333338-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS LABORATOIRE L. LAFON (FR) 2001-12-25 US disclosed