SCHEMBL7401822

SCHEMBL7401822

N=C(N)c1ccc([C@@H]2C[C@H](CC(=O)NCCC(=O)O)ON2)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 18/20 0.57
▸ ITGA2B P08514 18/20 0.57
▸ ITGB2 P05107 2/20 0.57
▸ ITGAM P11215 2/20 0.57
▸ ST14 Q9Y5Y6 1/20 0.38
▸ F2 P00734 1/20 0.36
▸ F10 P00742 1/20 0.36

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
SCHEMBL9039117 0.88 ITGB3 (0.43) ITGB3ITGA2BITGB2ITGAM
SCHEMBL9039133 0.86 ITGB3 (0.43) ITGB3ITGA2BITGB2ITGAM
SCHEMBL7438736 0.83 ITGB3 (0.53) ITGB3ITGA2BITGB2ITGAM
Hydrochloric Acid SCHEMBL7451925 0.82 ITGB3 (0.52) ITGB3ITGA2BITGB2ITGAM
SCHEMBL9094515 0.81 ITGB3 (0.48) ITGB3ITGA2BITGB2ITGAMST14
SCHEMBL7444463 0.79 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL7790925 0.79 ITGB3 (0.39) ITGB3ITGA2BF2F10
SCHEMBL7372378 0.79 ITGB3 (0.39) ITGB3ITGA2BF2F10
SCHEMBL8175498 0.78 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL9093809 0.77 ITGB3 (0.36) ITGB3ITGA2BITGB2ITGAMF2

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
WO-1995014682-A1 ISOXAZOLINE COMPOUNDS USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-06-01 — — WO disclosed
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