SCHEMBL7446594

SCHEMBL7446594

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

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.61
ITGA2B P08514 3/20 0.61
FPR2 P25090 11/20 0.36
HDAC1 Q13547 6/20 0.33
HDAC8 Q9BY41 6/20 0.33
HDAC6 Q9UBN7 6/20 0.33
FPR1 P21462 5/20 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
SCHEMBL7447020 0.92 ITGB3 (0.73) ITGB3ITGA2BFPR2HDAC1HDAC8
SCHEMBL7444447 0.91 ITGB3 (0.62) ITGB3ITGA2BFPR2HDAC1HDAC8
SCHEMBL8093695 0.91 ITGB3 (0.58) ITGB3ITGA2BFPR2HDAC1HDAC8
Hydrochloric Acid SCHEMBL7447015 0.91 ITGB3 (0.72) ITGB3ITGA2BFPR2HDAC1HDAC8
SCHEMBL7446744 0.90 ITGB3 (0.64) ITGB3ITGA2BFPR2HDAC1HDAC8
Hydrochloric Acid SCHEMBL8093691 0.90 ITGB3 (0.57) ITGB3ITGA2BFPR2HDAC1HDAC8
Hydrochloric Acid SCHEMBL7449815 0.89 ITGB3 (0.63) ITGB3ITGA2BFPR2HDAC1HDAC8
SCHEMBL7446668 0.89 ITGB3 (0.61) ITGB3ITGA2BFPR2HDAC1HDAC8
SCHEMBL7454357 0.89 ITGB3 (0.69) ITGB3ITGA2BFPR2HDAC1HDAC8
SCHEMBL7445276 0.89 ITGB3 (0.62) ITGB3ITGA2BFPR2

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