SCHEMBL6972123

SCHEMBL6972123

O=C(CCNC(=O)C(CCC1CCNCC1)CCC1CCNCC1)NCC(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.59
ITGA2B P08514 20/20 0.59
ITGAV P06756 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 SCHEMBL7943696 0.99 ITGB3 (0.58) ITGB3ITGA2BITGAV
SCHEMBL6966724 0.92 ITGB3 (0.59) ITGB3ITGA2BITGAV
SCHEMBL6963793 0.92 ITGB3 (0.59) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL7950075 0.91 ITGB3 (0.58) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL3047423 0.91 ITGB3 (0.58) ITGB3ITGA2BITGAV
SCHEMBL7752604 0.91 ITGB3 (0.61) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7955835 0.90 ITGB3 (0.59) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7955746 0.86 ITGB3 (0.54) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7950106 0.85 ITGB3 (0.56) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL7953697 0.85 ITGB3 (0.56) 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