SCHEMBL7446166

SCHEMBL7446166

COC(=O)CCNC(=O)N[C@H]1CCN(c2ccc(C(=N)NC(=O)OC)cc2)C1=O

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.67
ITGA2B P08514 1/20 0.67
FPR2 P25090 11/20 0.40
EPHX2 P34913 1/20 0.39
FPR1 P21462 7/20 0.39
ROCK2 O75116 1/20 0.37
HDAC1 Q13547 5/20 0.36
HDAC8 Q9BY41 5/20 0.36
HDAC6 Q9UBN7 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7448298 0.93 ITGB3 (0.79) ITGB3ITGA2BFPR2FPR1ROCK2
Hydrochloric Acid SCHEMBL7448287 0.92 ITGB3 (0.77) ITGB3ITGA2BFPR2FPR1ROCK2
SCHEMBL7444870 0.91 ITGB3 (0.68) ITGB3ITGA2BFPR2EPHX2FPR1
SCHEMBL7455508 0.89 ITGB3 (0.70) ITGB3ITGA2BFPR2EPHX2FPR1
SCHEMBL7451885 0.88 ITGB3 (0.84) ITGB3ITGA2BFPR2EPHX2FPR1
Hydrochloric Acid SCHEMBL7451874 0.87 ITGB3 (0.82) ITGB3ITGA2BFPR2EPHX2FPR1
SCHEMBL7446800 0.86 ITGB3 (0.64) ITGB3ITGA2BFPR2EPHX2FPR1
SCHEMBL7447482 0.85 ITGB3 (0.61) ITGB3ITGA2BFPR2EPHX2FPR1
SCHEMBL7444447 0.85 ITGB3 (0.62) ITGB3ITGA2BFPR2EPHX2FPR1
SCHEMBL7445984 0.84 ITGB3 (0.64) ITGB3ITGA2BFPR2FPR1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6025358-A Double prodrugs of potent GP IIb/IIIa antagonists G. D. SEARLE & CO. (US) 2000-02-15 US claimed
WO-1999064397-A1 DOUBLE PRODRUGS OF POTENT GPIIb/IIIa ANTAGONISTS G.D. SEARLE & CO. (US) 1999-12-16 WO claimed
US-6025358-A Double prodrugs of potent GP IIb/IIIa antagonists G. D. SEARLE & CO. (US) 2000-02-15 US disclosed
WO-1999064397-A1 DOUBLE PRODRUGS OF POTENT GPIIb/IIIa ANTAGONISTS G.D. SEARLE & CO. (US) 1999-12-16 WO disclosed