SCHEMBL8770643

SCHEMBL8770643

CCOC(=O)C(OC)C1CCN(C(=O)NC(=O)c2ccc(C(=N)N)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.50
ITGA2B P08514 12/20 0.50
PRSS1 P07477 4/20 0.46
PRSS2 P07478 4/20 0.46
PRSS3 P35030 4/20 0.46
PLG P00747 3/20 0.46
ST14 Q9Y5Y6 1/20 0.46
TPSAB1 Q15661 5/20 0.45
F2 P00734 2/20 0.45
TPSD1 Q9BZJ3 2/20 0.45
TPSG1 Q9NRR2 2/20 0.45
KMT2A Q03164 1/20 0.44
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL8770629 0.90 KMT2A (0.44) ITGB3ITGA2BKMT2AALOX15HTT
SCHEMBL8770319 0.84 KMT2A (0.43) KMT2AALOX15HTTSMN1; SMN2
SCHEMBL8770179 0.79 ITGB3 (0.74) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8770650 0.78 ITGB3 (0.55) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8770567 0.73 ITGB3 (0.70) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8770297 0.71 ITGB3 (0.53) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8770307 0.69 ITGB3 (0.60) ITGB3ITGA2BKMT2AALOX15HTT
SCHEMBL3254358 0.68 L3MBTL1 (0.43) KMT2AALOX15
SCHEMBL8770635 0.67 ITGB3 (0.44) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8770310 0.67 SMN1; SMN2 (0.60) KMT2AHTTSMN1; SMN2

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