SCHEMBL7445983

SCHEMBL7445983

CCOC(=O)CCNC(=O)N[C@H]1CCN(c2ccc(C(=N)NOC(=O)N(C)C)cc2)C1=O

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.77
ITGA2B P08514 7/20 0.77
FPR2 P25090 6/20 0.35
PRSS1 P07477 6/20 0.35
PRSS2 P07478 6/20 0.35
PRSS3 P35030 6/20 0.35
FPR1 P21462 4/20 0.35
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
F10 P00742 3/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 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
SCHEMBL7442322 0.94 ITGB3 (0.67) ITGB3ITGA2BFPR2PRSS1PRSS2
SCHEMBL7446800 0.92 ITGB3 (0.64) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7447356 0.92 ITGB3 (0.65) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7454091 0.91 ITGB3 (0.71) ITGB3ITGA2BFPR2PRSS1PRSS2
SCHEMBL7444768 0.91 ITGB3 (0.64) ITGB3ITGA2BFPR2FPR1HDAC6
SCHEMBL8103703 0.91 ITGB3 (0.63) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7455056 0.91 ITGB3 (0.63) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7454376 0.91 ITGB3 (0.63) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7446820 0.91 ITGB3 (0.80) ITGB3ITGA2BFPR2PRSS1PRSS2
SCHEMBL7448694 0.91 ITGB3 (0.83) ITGB3ITGA2BFPR2PRSS1PRSS2

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