Orbofiban

Orbofiban

SCHEMBL7415135

CCOC(=O)CCNC(=O)NC1CCN(c2ccc(C(=N)N)cc2)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 1.00
ITGA2B P08514 14/20 1.00
PRSS1 P07477 7/20 0.46
PRSS2 P07478 7/20 0.46
PRSS3 P35030 7/20 0.46
F10 P00742 5/20 0.42
PLG P00747 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41
FPR2 P25090 2/20 0.39
F2 P00734 3/20 0.38
FPR1 P21462 1/20 0.38

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
Orbofiban SCHEMBL7854981 1.00 ITGB3 (1.00) ITGB3ITGA2BPRSS1PRSS2PRSS3
Orbofiban SCHEMBL7417473 0.97 ITGB3 (0.95) ITGB3ITGA2BPRSS1PRSS2PRSS3
Orbofiban SCHEMBL871101 0.96 ITGB3 (0.93) ITGB3ITGA2BPRSS1PRSS2PRSS3
Orbofiban SCHEMBL7411884 0.94 ITGB3 (0.88) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7444902 0.93 ITGB3 (0.86) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7451885 0.91 ITGB3 (0.84) ITGB3ITGA2BFPR2FPR1
SCHEMBL7448694 0.91 ITGB3 (0.83) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7452988 0.91 ITGB3 (0.83) ITGB3ITGA2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7451874 0.90 ITGB3 (0.82) ITGB3ITGA2BFPR2FPR1
SCHEMBL7450536 0.90 ITGB3 (0.82) ITGB3ITGA2BPRSS1PRSS2PRSS3

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
EP-0691953-B1 1-AMIDINOPHENYL-PYRROLIDONES/ PIPERIDINONES AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2000-08-02 EP claimed
JP-3034046-B2 2000-04-17 JP claimed
EP-0691953-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-01-17 EP claimed
WO-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO claimed
WO-2020033724-A1 INTEGRIN ANTAGONISTS THE GENERAL HOSPITAL CORPORATION (US) 2020-02-13 WO disclosed
EP-0691953-B1 1-AMIDINOPHENYL-PYRROLIDONES/ PIPERIDINONES AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2000-08-02 EP disclosed
EP-0691953-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-01-17 EP disclosed
WO-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO disclosed