SCHEMBL6970907

SCHEMBL6970907

O=C(CNC(=O)C(CCC1CCNCC1)CCC1CCNCC1)NCC(NS(=O)(=O)c1cccc2ccccc12)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.59
ITGA2B P08514 18/20 0.59
ITGAV P06756 4/20 0.45
F2 P00734 1/20 0.44

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 SCHEMBL7943568 0.99 ITGB3 (0.58) ITGB3ITGA2BITGAVF2
SCHEMBL6969366 0.89 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL6976026 0.89 ITGB3 (0.46) ITGB3ITGA2BITGAV
SCHEMBL6976714 0.88 ITGB3 (0.60) ITGB3ITGA2BF2
Hydrochloric Acid SCHEMBL7953667 0.88 ITGB3 (0.46) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7953869 0.88 ITGB3 (0.46) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL7951255 0.87 ITGB3 (0.60) ITGB3ITGA2BF2
SCHEMBL6971795 0.87 ITGB3 (0.61) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7950372 0.87 ITGB3 (0.47) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL7951162 0.86 ITGB3 (0.47) ITGB3ITGA2BITGAV

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