SCHEMBL6977606

SCHEMBL6977606

COc1cc2ccc(S(=O)(=O)NC(CNC(=O)CNC(=O)C(CCC3CCNCC3)CCC3CCNCC3)C(=O)O)cc2cc1OC

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.48
ITGA2B P08514 17/20 0.48

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
Hydrochloric Acid SCHEMBL7951838 0.99 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL6976177 0.93 ITGB3 (0.51) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7950068 0.92 ITGB3 (0.50) ITGB3ITGA2B
SCHEMBL6963793 0.90 ITGB3 (0.59) ITGB3ITGA2B
SCHEMBL6966724 0.90 ITGB3 (0.59) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL3047423 0.89 ITGB3 (0.58) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7950075 0.89 ITGB3 (0.58) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7953678 0.88 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL6974515 0.84 ITGB3 (0.54) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7950195 0.84 ITGB3 (0.54) 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 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 claimed
US-6333338-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS LABORATOIRE L. LAFON (FR) 2001-12-25 US claimed