SCHEMBL7446563

SCHEMBL7446563

CN1CCN(C(=O)ONC(=N)c2ccc(N3CC[C@H](NC(=O)NCCC(=O)OCc4ccccc4)C3=O)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.59
ITGA2B P08514 1/20 0.59
FPR2 P25090 2/20 0.36
FPR1 P21462 1/20 0.36
SIGMAR1 Q99720 8/20 0.35
TMEM97 Q5BJF2 7/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
DRD1 P21728 1/20 0.35
HRH2 P25021 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR1E P28566 1/20 0.35
SLC6A4 P31645 1/20 0.35
HRH1 P35367 1/20 0.35
HTR2B P41595 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL7447020 0.90 ITGB3 (0.73) ITGB3ITGA2BFPR2FPR1RAB9A
SCHEMBL7444447 0.90 ITGB3 (0.62) ITGB3ITGA2BFPR2FPR1HDAC1
Hydrochloric Acid SCHEMBL7447015 0.89 ITGB3 (0.72) ITGB3ITGA2BFPR2FPR1RAB9A
SCHEMBL7446744 0.89 ITGB3 (0.64) ITGB3ITGA2BFPR2FPR1HRH2
SCHEMBL7455082 0.89 ITGB3 (0.65) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7446061 0.88 ITGB3 (0.58) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7446594 0.88 ITGB3 (0.61) ITGB3ITGA2BFPR2FPR1HDAC1
Hydrochloric Acid SCHEMBL7449815 0.88 ITGB3 (0.63) ITGB3ITGA2BFPR2FPR1HRH2
SCHEMBL7446668 0.88 ITGB3 (0.61) ITGB3ITGA2BFPR2FPR1HRH2
Hydrochloric Acid SCHEMBL7446661 0.87 ITGB3 (0.60) ITGB3ITGA2BFPR2FPR1HRH2

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