SCHEMBL8770567

SCHEMBL8770567

N=C(N)c1ccc(C(=O)NC(=O)N2CCC(OCC(=O)O)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.70
ITGA2B P08514 13/20 0.70
TPSAB1 Q15661 6/20 0.49
F2 P00734 3/20 0.49
PRSS1 P07477 3/20 0.49
PRSS2 P07478 3/20 0.49
PRSS3 P35030 3/20 0.49
TPSD1 Q9BZJ3 3/20 0.49
TPSG1 Q9NRR2 3/20 0.49
PLG P00747 2/20 0.49
KMT2A Q03164 1/20 0.45

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
SCHEMBL8770179 0.86 ITGB3 (0.74) ITGB3ITGA2BTPSAB1F2PRSS1
SCHEMBL7282873 0.84 ITGB3 (0.67) ITGB3ITGA2BTPSAB1F2PRSS1
SCHEMBL8770297 0.84 ITGB3 (0.53) ITGB3ITGA2BTPSAB1F2PRSS1
Ro-44-3888 SCHEMBL7284509 0.82 ITGB3 (1.00) ITGB3ITGA2B
Ro-44-3888 SCHEMBL7283142 0.82 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7276540 0.81 ITGB3 (0.77) ITGB3ITGA2B
SCHEMBL7276548 0.81 ITGB3 (0.70) ITGB3ITGA2BTPSAB1F2PRSS1
SCHEMBL7283177 0.81 ITGB3 (0.77) ITGB3ITGA2B
SCHEMBL7294041 0.81 ITGB3 (0.78) ITGB3ITGA2B
SCHEMBL7284294 0.81 ITGB3 (0.81) ITGB3ITGA2B

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

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