SCHEMBL7375616

SCHEMBL7375616

CCCCOC(=O)N[C@H](C(=O)O)[C@H](N)C(=O)C[C@H]1CC(c2ccc(NC(=N)N)cc2)=NO1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 17/20 0.59
▸ ITGA2B P08514 17/20 0.59
▸ MIF P14174 2/20 0.49
▸ F2 P00734 1/20 0.47
▸ F10 P00742 1/20 0.47

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
SCHEMBL7376910 1.00 ITGB3 (0.59) ITGB3ITGA2BMIFF2F10
SCHEMBL7219511 0.84 ITGB3 (0.83) ITGB3ITGA2B
SCHEMBL7219528 0.84 ITGB3 (0.83) ITGB3ITGA2B
SCHEMBL7213270 0.78 ITGB3 (0.53) ITGB3ITGA2BMIFF2F10
SCHEMBL7373273 0.75 F2 (0.45) ITGB3ITGA2BMIFF2F10
SCHEMBL7213400 0.74 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL6128667 0.71 ITGB3 (0.76) ITGB3ITGA2B
Roxifiban SCHEMBL24336949 0.71 ITGB3 (1.00) ITGB3ITGA2B
Roxifiban SCHEMBL344302 0.71 ITGB3 (1.00) ITGB3ITGA2B
Roxifiban SCHEMBL919675 0.71 ITGB3 (0.95) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6185453-B1 IONTOPHORETIC DEVICE INCLUDING SPECIFIED INTEGRIN INHIBITORS SUCH AS N3-(2-(3-(4-FORMAMIDINOPHENYL)-ISOXAZOLIN-5(R,S)-YL)-ACETYL)-N2 -(PHENYLSULFONYL)-2,3-(S)-DIAMINOPROPANOIC ACID DUPONT PHARMACEUTICALS COMPANY 2001-02-06 — — US claimed
EP-0730590-B1 ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARM CO (US) 2001-01-17 — — EP claimed
WO-1995014683-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-06-01 — — WO claimed
US-20020132276-A1 FACS method for detecton of GPIIb/IIIa inhibitor dependent activators in plasma samples BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-19 — — US disclosed
US-20020081624-A1 DETECTION OF PATIENTS AT RISK FOR DEVELOPING INTEGRIN ANTAGONIST/ AGONIST MEDIATED DISEASE STATES BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-27 — — US disclosed
US-6185453-B1 IONTOPHORETIC DEVICE INCLUDING SPECIFIED INTEGRIN INHIBITORS SUCH AS N3-(2-(3-(4-FORMAMIDINOPHENYL)-ISOXAZOLIN-5(R,S)-YL)-ACETYL)-N2 -(PHENYLSULFONYL)-2,3-(S)-DIAMINOPROPANOIC ACID DUPONT PHARMACEUTICALS COMPANY 2001-02-06 — — US disclosed
EP-0730590-B1 ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARM CO (US) 2001-01-17 — — EP disclosed
EP-0970950-A2 Novel isoxazoline and isoxazole fibrinogen receptor antagonists DuPont Pharmaceuticals Company (US) 2000-01-12 — — EP disclosed
Send feedback