SCHEMBL8552051

SCHEMBL8552051

O=C(N[C@@H](CNC(=O)[C@H]1C[C@H](CCCNC2=NCCN2)ON1)C(=O)O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.62
ITGAV P06756 16/20 0.62
ITGA2B P08514 6/20 0.49
MALT1 Q9UDY8 1/20 0.42

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
SCHEMBL7404187 1.00 ITGB3 (0.62) ITGB3ITGAVITGA2BMALT1
SCHEMBL7400967 0.98 ITGB3 (0.59) ITGB3ITGAVITGA2BMALT1
SCHEMBL7405506 0.85 ITGB3 (0.53) ITGB3ITGAVITGA2B
SCHEMBL7410395 0.84 ITGB3 (0.68) ITGB3ITGAVITGA2B
Hydrochloric Acid SCHEMBL7401107 0.84 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL7400841 0.82 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL7982685 0.82 ITGB3 (0.47) ITGB3ITGAVITGA2B
SCHEMBL8550615 0.81 ITGB3 (0.47) ITGB3ITGAVITGA2BMALT1
SCHEMBL7402209 0.81 ITGB3 (0.43) ITGB3ITGAVITGA2B
SCHEMBL7986069 0.81 ITGB3 (0.64) 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