SCHEMBL6964089

SCHEMBL6964089

O=C(O)CC(NC(=O)CNC(=O)C(CCC1CCNCC1)CCC1CCNCC1)c1ccc2c(c1)OCO2

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.58
ITGA2B P08514 11/20 0.58
F2R P25116 1/20 0.58
ITGAV P06756 10/20 0.43
ITGB5 P18084 1/20 0.43
ITGB6 P18564 1/20 0.43
ITGB8 P26012 1/20 0.43
GAA P10253 1/20 0.41

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 SCHEMBL7950476 0.99 ITGB3 (0.57) ITGB3ITGA2BF2RITGAVITGB5
Hydrochloric Acid SCHEMBL7956075 0.94 ITGB3 (0.51) ITGB3ITGA2BF2RITGAVITGB5
Hydrochloric Acid SCHEMBL7953727 0.88 ITGB3 (0.60) ITGB3ITGA2BF2RGAA
Hydrochloric Acid SCHEMBL7943573 0.83 SFN (0.46) ITGB3ITGA2BF2RGAA
Hydrochloric Acid SCHEMBL7955879 0.83 ITGB3 (0.43) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7950007 0.82 POLB (0.49) ITGB3ITGA2BF2RITGAVITGB5
SCHEMBL6974493 0.81 ITGB3 (0.47) ITGB3ITGA2BF2RITGAVITGB5
Hydrochloric Acid SCHEMBL7951859 0.80 ITGB3 (0.46) ITGB3ITGA2BF2RITGAVITGB5
Hydrochloric Acid SCHEMBL7953858 0.80 ITGB3 (0.47) ITGB3ITGA2BF2RITGAVITGB5
Hydrochloric Acid SCHEMBL7943692 0.80 ITGB3 (0.49) ITGB3ITGA2BF2RITGAVITGB5

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 3 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
EP-1098878-B1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS CEPHALON FRANCE (FR) 2003-12-17 EP disclosed