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Eptifibatide

Eptifibatide

SCHEMBL5577779

CCOC(=O)CCNC(=O)NC1CCN(c2ccc(C(=N)N)cc2)C1.N=C(N)NCCCC[C@@H]1NC(=O)CCSSC[C@@H](C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ITGA2BITGB3

The experimentally established mechanism targets of Eptifibatide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 known ✓ P05106 1/20 0.62
▸ ITGA2B known ✓ P08514 1/20 0.62
▸ ITGAV P06756 1/20 0.62
▸ TSLP Q969D9 17/20 0.49
▸ NECTIN4 Q96NY8 1/20 0.46

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
Eptifibatide SCHEMBL571287 0.86 ITGB3 (0.82) ITGB3ITGAVITGA2BTSLP
Eptifibatide SCHEMBL29398425 0.86 ITGB3 (0.82) ITGB3ITGAVITGA2BTSLP
Eptifibatide SCHEMBL15781 0.86 ITGB3 (0.82) ITGB3ITGAVITGA2BTSLP
Eptifibatide SCHEMBL8284422 0.86 ITGB3 (0.82) ITGB3ITGAVITGA2BTSLP
Eptifibatide SCHEMBL1890434 0.85 ITGB3 (0.80) ITGB3ITGAVITGA2BTSLPNECTIN4
Eptifibatide SCHEMBL21753462 0.85 ITGB3 (0.81) ITGB3ITGAVITGA2BTSLP
Eptifibatide SCHEMBL7107217 0.85 ITGB3 (0.81) ITGB3ITGAVITGA2BTSLP
SCHEMBL24433365 0.84 ITGB3 (0.81) ITGB3ITGAVITGA2BTSLP
SCHEMBL22193885 0.84 ITGB3 (0.81) ITGB3ITGAVITGA2BTSLP
Eptifibatide SCHEMBL2830072 0.83 ITGB3 (0.78) ITGB3ITGAVITGA2BTSLP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150065455-A1 METHODS OF ASSESSING SUSCEPTIBILITY TO DRUG-INDUCED THROMBOCYTOPENIA WATIER HERVE (FR) 2015-03-05 — — US disclosed
US-20070190657-A1 Methods of assessing susceptibility to drug-induced thrombocytopenia UNIVERSITE FRANCOIS RABELAIS (FR) 2007-08-16 — — US disclosed
WO-2005123947-A1 METHODS OF ASSESSING SUSCEPTIBILITY TO DRUG-INDUCED THROMBOCYTOPENIA UNIVERSITE FRANCOIS RABELAIS (FR) 2005-12-29 — — WO disclosed