SCHEMBL6969366

SCHEMBL6969366

O=C(CNC(=O)C(CCC1CCNCC1)CCC1CCNCC1)NCC(NS(=O)(=O)c1ccc(F)c2ccccc12)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.46
ITGA2B P08514 20/20 0.46

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 SCHEMBL7953667 0.99 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL6976026 0.90 ITGB3 (0.46) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7953869 0.90 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL6970907 0.89 ITGB3 (0.59) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7943568 0.88 ITGB3 (0.58) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7951791 0.88 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL6971795 0.85 ITGB3 (0.61) ITGB3ITGA2B
SCHEMBL6976714 0.85 ITGB3 (0.60) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7952205 0.85 ITGB3 (0.60) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7951255 0.84 ITGB3 (0.60) 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