SCHEMBL8093695

SCHEMBL8093695

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.58
ITGA2B P08514 1/20 0.58
FPR2 P25090 8/20 0.36
LMNA P02545 1/20 0.34
LIPE Q05469 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
FPR1 P21462 2/20 0.33
CCKBR P32239 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 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 SCHEMBL8093691 0.99 ITGB3 (0.57) ITGB3ITGA2BFPR2LMNALIPE
SCHEMBL7444447 0.93 ITGB3 (0.62) ITGB3ITGA2BFPR2HDAC1HDAC8
SCHEMBL7446594 0.91 ITGB3 (0.61) ITGB3ITGA2BFPR2HDAC1HDAC8
SCHEMBL7447020 0.90 ITGB3 (0.73) ITGB3ITGA2BFPR2HDAC1HDAC8
SCHEMBL7446061 0.90 ITGB3 (0.58) ITGB3ITGA2BFPR2HDAC1HDAC8
SCHEMBL7445987 0.89 ITGB3 (0.58) ITGB3ITGA2BFPR2HDAC1HDAC8
Hydrochloric Acid SCHEMBL7447015 0.89 ITGB3 (0.72) ITGB3ITGA2BFPR2HDAC1HDAC8
SCHEMBL8109424 0.89 ITGB3 (0.66) ITGB3ITGA2BFPR2HDAC1HDAC8
SCHEMBL7442370 0.89 ITGB3 (0.56) ITGB3ITGA2BFPR2HDAC1HDAC8
Hydrochloric Acid SCHEMBL8103427 0.88 ITGB3 (0.57) 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