SCHEMBL8551009

SCHEMBL8551009

O=CN(CC(NC(=O)OCc1ccccc1)C(=O)O)[C@H]1CC(CCCCN[C@@H]2N=CCN2)=NO1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.45
ITGAV P06756 17/20 0.45
ITGA2B P08514 12/20 0.45

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
SCHEMBL7402861 0.82 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL8548718 0.79 ITGB3 (0.41) ITGB3ITGAVITGA2B
SCHEMBL7347915 0.74 ITGB3 (0.46) ITGB3ITGAVITGA2B
SCHEMBL7400652 0.74 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL8177321 0.71 ITGB3 (0.42) ITGB3ITGAVITGA2B
SCHEMBL8643943 0.69 ITGB3 (0.36) ITGB3ITGAVITGA2B
SCHEMBL7396575 0.68 ITGB3 (0.43) ITGB3ITGAVITGA2B
SCHEMBL7406112 0.68 ITGB3 (0.65) ITGB3ITGAVITGA2B
SCHEMBL7401937 0.68 ITGB3 (0.51) ITGB3ITGAVITGA2B
SCHEMBL7347802 0.67 ITGB3 (0.38) 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 1 patent. 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