SCHEMBL8770179

SCHEMBL8770179

CCOC(=O)COC1CCN(C(=O)NC(=O)c2ccc(C(=N)N)cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.74
ITGA2B P08514 11/20 0.74
PLG P00747 3/20 0.46
PRSS1 P07477 3/20 0.46
PRSS2 P07478 3/20 0.46
PRSS3 P35030 3/20 0.46
ST14 Q9Y5Y6 1/20 0.46
F2 P00734 5/20 0.45
TPSAB1 Q15661 4/20 0.45
TPSD1 Q9BZJ3 2/20 0.45
TPSG1 Q9NRR2 2/20 0.45
KMT2A Q03164 1/20 0.44
F10 P00742 2/20 0.41

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
SCHEMBL8770307 0.90 ITGB3 (0.60) ITGB3ITGA2BKMT2A
SCHEMBL8770567 0.86 ITGB3 (0.70) ITGB3ITGA2BPLGPRSS1PRSS2
SCHEMBL8770650 0.86 ITGB3 (0.55) ITGB3ITGA2BPLGPRSS1PRSS2
SCHEMBL8770620 0.84 ITGB3 (0.55) ITGB3ITGA2BKMT2A
SCHEMBL8770643 0.79 ITGB3 (0.50) ITGB3ITGA2BPLGPRSS1PRSS2
SCHEMBL7302533 0.76 ITGB3 (0.54) ITGB3ITGA2BKMT2A
SCHEMBL8770635 0.76 ITGB3 (0.44) ITGB3ITGA2BPLGPRSS1PRSS2
SCHEMBL7315714 0.75 ITGB3 (0.75) ITGB3ITGA2B
Sibrafiban SCHEMBL27618015 0.73 ITGB3 (1.00) ITGB3ITGA2BF2
Sibrafiban SCHEMBL50759 0.73 ITGB3 (1.00) ITGB3ITGA2BF2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0632019-B1 Acylureas ZENECA LTD (GB) 1997-09-24 EP disclosed
US-5576334-A ANTICOAGULANTS ZENECA LIMITED (GB) 1996-11-19 US disclosed
EP-0632019-A1 Acylureas ZENECA LIMITED (GB) 1995-01-04 EP disclosed