SCHEMBL7401802

SCHEMBL7401802

O=C(N[C@@H](CNC(=O)[C@H]1C[C@H](CCCCNC2=NCCCN2)NO1)C(=O)O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.54
ITGAV P06756 17/20 0.54
ITGA2B P08514 7/20 0.54

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
SCHEMBL7400841 0.98 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL7979245 0.84 ITGB3 (0.53) ITGB3ITGAVITGA2B
SCHEMBL7402534 0.83 ITGB3 (0.40) ITGB3ITGAVITGA2B
SCHEMBL7980609 0.83 ITGB3 (0.46) ITGB3ITGAVITGA2B
SCHEMBL7400967 0.83 ITGB3 (0.59) ITGB3ITGAVITGA2B
SCHEMBL7404774 0.81 ITGB3 (0.39) ITGB3ITGAVITGA2B
SCHEMBL7406835 0.81 ITGB3 (0.46) ITGB3ITGAVITGA2B
SCHEMBL8552051 0.80 ITGB3 (0.62) ITGB3ITGAVITGA2B
SCHEMBL7404187 0.80 ITGB3 (0.62) ITGB3ITGAVITGA2B
SCHEMBL7406107 0.80 ITGB3 (0.46) ITGB3ITGAVITGA2B

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-0828737-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-18 EP disclosed
US-5710159-A IMIDAZOLIN-2-YLAMINOPROPOXY)ISOXAZOL-5-CARBONYLAMINO-2 -BENZYLOXYCARBONYLAMINOPROPIONIC ACID AS ANTIINFLAMMATORY AGENTS, BONE DEGRADATION, TUMORS, METASTASES AND THROMBOSIS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-20 US disclosed
WO-1996037492-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-28 WO disclosed