SCHEMBL7455162

SCHEMBL7455162

CCOC(=O)CCNC(=O)N[C@H]1CCN(c2ccc(C=NNOC(=O)OCC)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 14/20 0.36
FPR1 P21462 9/20 0.35
POLB P06746 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP21A2 P08686 1/20 0.34
CYP11B1 P15538 1/20 0.34
MIF P14174 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL7446837 0.93 ITGB3 (0.67) ITGB3ITGA2BFPR2FPR1POLB
SCHEMBL7448710 0.92 ITGB3 (0.71) ITGB3ITGA2BFPR2FPR1POLB
SCHEMBL7445990 0.91 ITGB3 (0.64) ITGB3ITGA2BFPR2FPR1POLB
SCHEMBL7449818 0.90 ITGB3 (0.70) ITGB3ITGA2BFPR2FPR1POLB
Hydrochloric Acid SCHEMBL7447965 0.90 ITGB3 (0.69) ITGB3ITGA2BFPR2FPR1POLB
SCHEMBL7449094 0.87 ITGB3 (0.63) ITGB3ITGA2BFPR2FPR1
SCHEMBL7415142 0.87 ITGB3 (0.73) ITGB3ITGA2BFPR2FPR1POLB
SCHEMBL7450561 0.86 ITGB3 (0.62) ITGB3ITGA2BFPR2FPR1
SCHEMBL7442329 0.86 ITGB3 (0.57) ITGB3ITGA2BFPR2FPR1
Hydrochloric Acid SCHEMBL8101700 0.85 ITGB3 (0.59) ITGB3ITGA2BFPR2FPR1POLB

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