SCHEMBL7449094

SCHEMBL7449094

CCCOC(=O)CCNC(=O)N[C@H]1CCN(c2ccc(C=NNOC(N)=O)cc2)C1=O

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.63
ITGA2B P08514 1/20 0.63
FPR2 P25090 15/20 0.34
FPR1 P21462 9/20 0.33
EPHX2 P34913 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL7450561 0.95 ITGB3 (0.62) ITGB3ITGA2BFPR2FPR1EPHX2
SCHEMBL7450177 0.95 ITGB3 (0.61) ITGB3ITGA2BFPR2FPR1EPHX2
SCHEMBL7448710 0.94 ITGB3 (0.71) ITGB3ITGA2BFPR2FPR1
SCHEMBL7455521 0.91 ITGB3 (0.61) ITGB3ITGA2BFPR2FPR1EPHX2
SCHEMBL7442329 0.91 ITGB3 (0.57) ITGB3ITGA2BFPR2FPR1EPHX2
SCHEMBL7449994 0.90 ITGB3 (0.62) ITGB3ITGA2BFPR2FPR1EPHX2
SCHEMBL7449998 0.90 ITGB3 (0.60) ITGB3ITGA2BFPR2FPR1
SCHEMBL7454360 0.90 ITGB3 (0.60) ITGB3ITGA2BFPR2FPR1
Hydrochloric Acid SCHEMBL7446952 0.89 ITGB3 (0.61) ITGB3ITGA2BFPR2FPR1EPHX2
SCHEMBL8109428 0.88 ITGB3 (0.57) ITGB3ITGA2BFPR2FPR1KMT2A

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