SCHEMBL7448694

SCHEMBL7448694

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

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.83
ITGA2B P08514 9/20 0.83
PRSS1 P07477 7/20 0.38
PRSS2 P07478 7/20 0.38
PRSS3 P35030 7/20 0.38
FPR2 P25090 4/20 0.37
FPR1 P21462 2/20 0.36
F10 P00742 3/20 0.36
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
PLG P00747 1/20 0.34
ST14 Q9Y5Y6 1/20 0.34

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
SCHEMBL7449106 0.93 ITGB3 (0.72) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7446820 0.93 ITGB3 (0.80) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7455144 0.93 ITGB3 (0.80) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7455508 0.92 ITGB3 (0.70) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7450550 0.92 ITGB3 (0.70) ITGB3ITGA2BPRSS1PRSS2PRSS3
Orbofiban SCHEMBL7854981 0.91 ITGB3 (1.00) ITGB3ITGA2BPRSS1PRSS2PRSS3
Orbofiban SCHEMBL7415135 0.91 ITGB3 (1.00) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7450175 0.91 ITGB3 (0.69) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7454357 0.91 ITGB3 (0.69) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7445983 0.91 ITGB3 (0.77) ITGB3ITGA2BPRSS1PRSS2PRSS3

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