SCHEMBL7450561

SCHEMBL7450561

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

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.62
ITGA2B P08514 1/20 0.62
EPHX2 P34913 2/20 0.35
ALDH1A1 P00352 1/20 0.34
FPR2 P25090 10/20 0.34
FPR1 P21462 6/20 0.33
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7450177 0.98 ITGB3 (0.61) ITGB3ITGA2BEPHX2ALDH1A1FPR2
SCHEMBL7449094 0.95 ITGB3 (0.63) ITGB3ITGA2BEPHX2ALDH1A1FPR2
SCHEMBL7448710 0.93 ITGB3 (0.71) ITGB3ITGA2BFPR2FPR1
SCHEMBL7447360 0.91 ITGB3 (0.56) ITGB3ITGA2BEPHX2ALDH1A1FPR2
SCHEMBL7449397 0.90 ITGB3 (0.60) ITGB3ITGA2BEPHX2ALDH1A1FPR2
Hydrochloric Acid SCHEMBL7451905 0.90 ITGB3 (0.59) ITGB3ITGA2BEPHX2ALDH1A1FPR2
SCHEMBL7455521 0.90 ITGB3 (0.61) ITGB3ITGA2BEPHX2FPR2FPR1
SCHEMBL7444770 0.89 ITGB3 (0.55) ITGB3ITGA2BEPHX2ALDH1A1FPR2
SCHEMBL7454360 0.88 ITGB3 (0.60) ITGB3ITGA2BFPR2FPR1
SCHEMBL7449998 0.88 ITGB3 (0.60) ITGB3ITGA2BFPR2FPR1SMN1; SMN2

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