SCHEMBL7403744

SCHEMBL7403744

CCCCOC(=O)NC(CNC(=O)CC1CC(CCCNC2NCCN2)NO1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.48
ITGA2B P08514 20/20 0.48

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
SCHEMBL7398391 0.93 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL7356072 0.86 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL9229964 0.84 ITGB3 (0.63) ITGB3ITGA2B
SCHEMBL7403473 0.84 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL7405288 0.83 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL7401798 0.81 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL7407043 0.80 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL7403219 0.79 ITGB3 (0.37) ITGB3ITGA2B
SCHEMBL7407373 0.77 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL7402358 0.76 ITGB3 (0.41) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828737-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-18 EP claimed
WO-1996037492-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-28 WO claimed
US-6214834-B1 ANGIOGENESIS INHIBITORS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-04-10 US disclosed
EP-0828737-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-18 EP disclosed
WO-1996037492-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-28 WO disclosed