SCHEMBL8093675

SCHEMBL8093675

CC(C)(C)OC(=O)CCNC(=O)N[C@H]1CCN(c2ccc(C(=N)NO)cc2)C1=O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.64
ITGA2B P08514 1/20 0.64
FPR2 P25090 6/20 0.40
HDAC1 Q13547 6/20 0.39
HDAC8 Q9BY41 6/20 0.39
HDAC6 Q9UBN7 6/20 0.39
FPR1 P21462 2/20 0.39
CCKBR P32239 2/20 0.36

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
SCHEMBL7444870 0.91 ITGB3 (0.68) ITGB3ITGA2BFPR2HDAC1HDAC8
SCHEMBL8109424 0.90 ITGB3 (0.66) ITGB3ITGA2BFPR2HDAC1HDAC8
SCHEMBL7449217 0.89 ITGB3 (0.67) ITGB3ITGA2BFPR2HDAC1HDAC8
SCHEMBL7447973 0.88 ITGB3 (0.81) ITGB3ITGA2BFPR2HDAC1HDAC8
SCHEMBL8103425 0.88 ITGB3 (0.61) ITGB3ITGA2BFPR2HDAC1HDAC8
Acetic Acid SCHEMBL8109437 0.88 ITGB3 (0.75) ITGB3ITGA2BFPR2FPR1
Hydrochloric Acid SCHEMBL7447955 0.87 ITGB3 (0.80) ITGB3ITGA2BFPR2HDAC1HDAC8
SCHEMBL7445984 0.87 ITGB3 (0.64) ITGB3ITGA2BFPR2HDAC1HDAC8
Hydrochloric Acid SCHEMBL7454539 0.86 ITGB3 (0.63) ITGB3ITGA2BFPR2HDAC1HDAC8
SCHEMBL7446963 0.86 ITGB3 (0.70) ITGB3ITGA2BFPR2HDAC1HDAC8

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
US-6025358-A Double prodrugs of potent GP IIb/IIIa antagonists G. D. SEARLE & CO. (US) 2000-02-15 US disclosed