SCHEMBL7455258

SCHEMBL7455258

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

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
FPR2 P25090 8/20 0.34
FPR1 P21462 6/20 0.33
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7446812 0.92 ITGB3 (0.55) ITGB3ITGA2BFPR2FPR1SMN1; SMN2
SCHEMBL7455058 0.91 ITGB3 (0.55) ITGB3ITGA2BFPR2FPR1SMN1; SMN2
SCHEMBL7446813 0.91 ITGB3 (0.57) ITGB3ITGA2BFPR2FPR1SMN1; SMN2
SCHEMBL7445990 0.91 ITGB3 (0.64) ITGB3ITGA2BFPR2FPR1
SCHEMBL7450172 0.90 ITGB3 (0.51) ITGB3ITGA2BFPR2FPR1
SCHEMBL8103426 0.89 ITGB3 (0.52) ITGB3ITGA2BFPR2FPR1
Water SCHEMBL7449658 0.89 ITGB3 (0.51) ITGB3ITGA2BFPR2FPR1
SCHEMBL7445991 0.89 ITGB3 (0.56) ITGB3ITGA2BFPR2FPR1SMN1; SMN2
SCHEMBL7442329 0.88 ITGB3 (0.57) ITGB3ITGA2BFPR2FPR1
Hydrochloric Acid SCHEMBL7454544 0.88 ITGB3 (0.55) 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