SCHEMBL7444231

SCHEMBL7444231

CN(C)CCNC(=O)ONC(=N)c1ccc(N2CC[C@H](NC(=O)NCCC(=O)OCc3ccccc3)C2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.58
ITGA2B P08514 1/20 0.58
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FPR2 P25090 2/20 0.36
FPR1 P21462 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.35
HDAC6 Q9UBN7 2/20 0.34
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
ELANE P08246 1/20 0.33
PRSS3 P35030 1/20 0.33
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
TMEM97 Q5BJF2 3/20 0.33
SIGMAR1 Q99720 3/20 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
SCHEMBL7449965 0.91 ITGB3 (0.58) ITGB3ITGA2BMEN1KMT2AFPR2
SCHEMBL7447038 0.90 ITGB3 (0.72) ITGB3ITGA2BMEN1KMT2AFPR2
Acetic Acid SCHEMBL7445840 0.90 ITGB3 (0.69) ITGB3ITGA2BFPR2FPR1HDAC6
SCHEMBL7449970 0.90 ITGB3 (0.62) ITGB3ITGA2BMEN1KMT2AFPR2
SCHEMBL7447482 0.89 ITGB3 (0.61) ITGB3ITGA2BFPR2FPR1HDAC6
SCHEMBL7450950 0.89 ITGB3 (0.63) ITGB3ITGA2BFPR2FPR1HDAC6
SCHEMBL7446910 0.89 ITGB3 (0.57) ITGB3ITGA2BFPR2FPR1HDAC6
SCHEMBL8101804 0.88 ITGB3 (0.60) ITGB3ITGA2BFPR2FPR1HDAC6
SCHEMBL8093830 0.88 ITGB3 (0.60) ITGB3ITGA2BFPR2FPR1HDAC6
SCHEMBL7455082 0.88 ITGB3 (0.65) ITGB3ITGA2BMEN1KMT2AFPR2

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