SCHEMBL7445276

SCHEMBL7445276

CCCCOC(=O)CCNC(=O)N[C@H]1CCN(c2ccc(C(=N)NOC(=O)N3CCN(C)CC3)cc2)C1=O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.62
ITGA2B P08514 2/20 0.62
HRH2 P25021 11/20 0.38
HRH1 P35367 11/20 0.38
EPHX2 P34913 1/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
HSD17B10 Q99714 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
FPR2 P25090 2/20 0.34
GAA P10253 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 SCHEMBL7445269 0.99 ITGB3 (0.61) ITGB3ITGA2BHRH2HRH1EPHX2
SCHEMBL7449422 0.98 ITGB3 (0.61) ITGB3ITGA2BHRH2HRH1EPHX2
Hydrochloric Acid SCHEMBL7454956 0.97 ITGB3 (0.60) ITGB3ITGA2BHRH2HRH1EPHX2
SCHEMBL7446744 0.95 ITGB3 (0.64) ITGB3ITGA2BHRH2HRH1MAPT
Hydrochloric Acid SCHEMBL7449815 0.95 ITGB3 (0.63) ITGB3ITGA2BHRH2HRH1MAPT
SCHEMBL7447020 0.92 ITGB3 (0.73) ITGB3ITGA2BHPGDHSD17B10FPR2
Hydrochloric Acid SCHEMBL7447015 0.92 ITGB3 (0.72) ITGB3ITGA2BHPGDHSD17B10FPR2
SCHEMBL7444447 0.91 ITGB3 (0.62) ITGB3ITGA2BEPHX2HPGDFPR2
SCHEMBL7450550 0.89 ITGB3 (0.70) ITGB3ITGA2BHRH2HRH1EPHX2
SCHEMBL7446668 0.89 ITGB3 (0.61) ITGB3ITGA2BHRH2HRH1EPHX2

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