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Eptifibatide

Eptifibatide

SCHEMBL21753462

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.S

nearest known ligand 0.81

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 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 known ✓ P05106 1/20 0.81
▸ ITGA2B known ✓ P08514 1/20 0.81
▸ ITGAV P06756 1/20 0.81
▸ LDLR P01130 8/20 0.56
▸ PCSK9 Q8NBP7 8/20 0.56
▸ TSLP Q969D9 9/20 0.54
▸ MC4R P32245 1/20 0.53
▸ MC5R P33032 1/20 0.53
▸ MC3R P41968 1/20 0.53
▸ MC1R Q01726 1/20 0.53

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 SCHEMBL8284422 0.99 ITGB3 (0.82) ITGB3ITGAVITGA2BLDLRPCSK9
Eptifibatide SCHEMBL29398425 0.99 ITGB3 (0.82) ITGB3ITGAVITGA2BLDLRPCSK9
Eptifibatide SCHEMBL15781 0.99 ITGB3 (0.82) ITGB3ITGAVITGA2BLDLRPCSK9
Eptifibatide SCHEMBL571287 0.99 ITGB3 (0.82) ITGB3ITGAVITGA2BLDLRPCSK9
Eptifibatide SCHEMBL7107217 0.99 ITGB3 (0.81) ITGB3ITGAVITGA2BLDLRPCSK9
Eptifibatide SCHEMBL1890434 0.98 ITGB3 (0.80) ITGB3ITGAVITGA2BLDLRPCSK9
SCHEMBL24433365 0.98 ITGB3 (0.81) ITGB3ITGAVITGA2BLDLRPCSK9
SCHEMBL22193885 0.98 ITGB3 (0.81) ITGB3ITGAVITGA2BLDLRPCSK9
Eptifibatide SCHEMBL21753468 0.96 ITGB3 (0.76) ITGB3ITGAVITGA2BLDLRPCSK9
Eptifibatide SCHEMBL2830072 0.96 ITGB3 (0.78) ITGB3ITGAVITGA2BLDLRPCSK9

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
WO-2020037729-A1 METHOD FOR SYNTHESIZING INTEGRILIN THIOETHER 深圳翰宇药业股份有限公司 2020-02-27 — — WO claimed
WO-2020037729-A1 METHOD FOR SYNTHESIZING INTEGRILIN THIOETHER 深圳翰宇药业股份有限公司 2020-02-27 — — WO disclosed