SCHEMBL6970928

SCHEMBL6970928

Cc1cc(C)c(S(=O)(=O)NC(CNC(=O)CNC(=O)C(CCC2CCNCC2)CCC2CCNCC2)C(=O)O)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 8/20 0.48
ITGB3 P05106 17/20 0.47
ITGA2B P08514 17/20 0.47

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 SCHEMBL7955822 0.99 ITGAV (0.48) ITGAVITGB3ITGA2B
SCHEMBL6974515 0.87 ITGB3 (0.54) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7950195 0.86 ITGB3 (0.54) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7952096 0.85 ITGB3 (0.53) ITGAVITGB3ITGA2B
SCHEMBL6971050 0.84 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL6971772 0.84 ITGB3 (0.46) ITGAVITGB3ITGA2B
Hydrochloric Acid SCHEMBL7955715 0.84 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL6971795 0.84 ITGB3 (0.61) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7953884 0.83 ITGB3 (0.45) ITGAVITGB3ITGA2B
SCHEMBL7754693 0.83 ITGAV (0.48) ITGAVITGB3ITGA2B

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