SCHEMBL6971741

SCHEMBL6971741

CCOC(=O)[C@H](CNC(=O)CNC(=O)C(CCC1CCNCC1)CCC1CCNCC1)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.49
ITGA2B P08514 15/20 0.49
F2 P00734 2/20 0.43
NPY5R Q15761 1/20 0.42
PLAU P00749 2/20 0.40
PLAT P00750 1/20 0.40
F10 P00742 1/20 0.40
PLG P00747 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40

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
SCHEMBL6963793 0.90 ITGB3 (0.59) ITGB3ITGA2B
SCHEMBL6966724 0.90 ITGB3 (0.59) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7950075 0.89 ITGB3 (0.58) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL3047423 0.89 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL6976329 0.84 F2 (0.44) ITGB3ITGA2BF2PLAUPLAT
SCHEMBL6976177 0.84 ITGB3 (0.51) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7950068 0.83 ITGB3 (0.50) ITGB3ITGA2B
SCHEMBL6977606 0.83 ITGB3 (0.48) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7951838 0.82 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL6972123 0.82 ITGB3 (0.59) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098878-B1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS CEPHALON FRANCE (FR) 2003-12-17 EP claimed