SCHEMBL7455282

SCHEMBL7455282

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.59
ITGA2B P08514 1/20 0.59
EPHX2 P34913 4/20 0.41
ALDH1A1 P00352 5/20 0.37
FPR2 P25090 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
FPR1 P21462 2/20 0.35
ATM Q13315 2/20 0.33
LMNA P02545 1/20 0.33
XBP1 P17861 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
Hydrochloric Acid SCHEMBL7450419 0.99 ITGB3 (0.58) ITGB3ITGA2BEPHX2ALDH1A1FPR2
SCHEMBL7449397 0.97 ITGB3 (0.60) ITGB3ITGA2BEPHX2ALDH1A1FPR2
Hydrochloric Acid SCHEMBL7451905 0.97 ITGB3 (0.59) ITGB3ITGA2BEPHX2ALDH1A1FPR2
SCHEMBL7449994 0.94 ITGB3 (0.62) ITGB3ITGA2BEPHX2ALDH1A1FPR2
Hydrochloric Acid SCHEMBL7446952 0.93 ITGB3 (0.61) ITGB3ITGA2BEPHX2ALDH1A1FPR2
SCHEMBL7449818 0.91 ITGB3 (0.70) ITGB3ITGA2BALDH1A1FPR2SMN1; SMN2
SCHEMBL7450177 0.91 ITGB3 (0.61) ITGB3ITGA2BEPHX2ALDH1A1FPR2
Hydrochloric Acid SCHEMBL7447965 0.91 ITGB3 (0.69) ITGB3ITGA2BALDH1A1FPR2SMN1; SMN2
SCHEMBL7444770 0.89 ITGB3 (0.55) ITGB3ITGA2BEPHX2ALDH1A1FPR2
SCHEMBL7450561 0.88 ITGB3 (0.62) 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 2 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