SCHEMBL7376861

SCHEMBL7376861

CN(C[C@H](N)C(=O)OC(=O)OCc1ccccc1)C(=O)C[C@H]1C[C@@H](c2ccc(C(=N)N)cc2)NO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 5/20 0.45
▸ ITGA2B P08514 5/20 0.45
▸ F2 P00734 8/20 0.34
▸ PLAU P00749 4/20 0.34
▸ PLG P00747 3/20 0.34
▸ PLAT P00750 3/20 0.34
▸ F10 P00742 3/20 0.34
▸ KLK8 O60259 2/20 0.34
▸ KLK4 Q9Y5K2 2/20 0.34
▸ KDM1A O60341 2/20 0.32
▸ RCOR1 Q9UKL0 1/20 0.32
▸ MAOA P21397 2/20 0.31
▸ KLK1 P06870 1/20 0.31
▸ KLK2 P20151 1/20 0.31
▸ MASP2 O00187 1/20 0.31
▸ PRSS1 P07477 1/20 0.30
▸ PRSS2 P07478 1/20 0.30
▸ F7 P08709 1/20 0.30
▸ F3 P13726 1/20 0.30
▸ PRSS3 P35030 1/20 0.30

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
SCHEMBL8125406 0.73 ITGB3 (0.30) ITGB3ITGA2B
SCHEMBL7844777 0.71 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL6989337 0.71 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL7790925 0.69 ITGB3 (0.39) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7372378 0.69 ITGB3 (0.39) ITGB3ITGA2BF2F10PRSS1
SCHEMBL6992922 0.69 ITGB3 (0.43) ITGB3ITGA2B
SCHEMBL7438736 0.68 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL7367239 0.68 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL7378464 0.68 MASP2 (0.34) ITGB3ITGA2BKDM1ARCOR1MASP2
Hydrochloric Acid SCHEMBL7451925 0.67 ITGB3 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0730590-B1 ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARM CO (US) 2001-01-17 — — EP disclosed
WO-1995014683-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-06-01 — — WO disclosed
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