SCHEMBL7450175

SCHEMBL7450175

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

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.69
ITGA2B P08514 5/20 0.69
EPHX2 P34913 3/20 0.40
ALDH1A1 P00352 3/20 0.36
FPR2 P25090 3/20 0.35
FPR1 P21462 2/20 0.34
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
MAPT P10636 1/20 0.33
ROCK2 O75116 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 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
SCHEMBL7450550 0.98 ITGB3 (0.70) ITGB3ITGA2BEPHX2ALDH1A1FPR2
SCHEMBL7449106 0.94 ITGB3 (0.72) ITGB3ITGA2BEPHX2FPR2FPR1
SCHEMBL7450536 0.92 ITGB3 (0.82) ITGB3ITGA2BEPHX2ALDH1A1FPR2
SCHEMBL7444768 0.91 ITGB3 (0.64) ITGB3ITGA2BEPHX2ALDH1A1FPR2
Hydrochloric Acid SCHEMBL7450522 0.91 ITGB3 (0.81) ITGB3ITGA2BEPHX2ALDH1A1FPR2
SCHEMBL7450426 0.91 ITGB3 (0.67) ITGB3ITGA2BEPHX2ALDH1A1FPR2
SCHEMBL7448694 0.91 ITGB3 (0.83) ITGB3ITGA2BFPR2FPR1PRSS1
Hydrochloric Acid SCHEMBL7450412 0.90 ITGB3 (0.66) ITGB3ITGA2BEPHX2ALDH1A1FPR2
SCHEMBL7449422 0.89 ITGB3 (0.61) ITGB3ITGA2BEPHX2ALDH1A1FPR2
SCHEMBL7452988 0.89 ITGB3 (0.83) ITGB3ITGA2BEPHX2ALDH1A1FPR2

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