SCHEMBL8770650

SCHEMBL8770650

CCOC(=O)COCC1CCN(C(=O)NC(=O)c2ccc(C(=N)N)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.55
ITGA2B P08514 14/20 0.55
TPSAB1 Q15661 4/20 0.48
PLG P00747 3/20 0.48
PRSS1 P07477 3/20 0.48
PRSS2 P07478 3/20 0.48
PRSS3 P35030 3/20 0.48
F2 P00734 2/20 0.48
TPSD1 Q9BZJ3 2/20 0.48
TPSG1 Q9NRR2 2/20 0.48
ST14 Q9Y5Y6 1/20 0.45
KMT2A Q03164 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
SCHEMBL8770635 0.90 ITGB3 (0.44) ITGB3ITGA2BTPSAB1PLGPRSS1
SCHEMBL8770297 0.86 ITGB3 (0.53) ITGB3ITGA2BTPSAB1PLGPRSS1
SCHEMBL8770324 0.86 KMT2A (0.42) ITGB3ITGA2BKMT2A
SCHEMBL8770179 0.86 ITGB3 (0.74) ITGB3ITGA2BTPSAB1PLGPRSS1
SCHEMBL8770643 0.78 ITGB3 (0.50) ITGB3ITGA2BTPSAB1PLGPRSS1
SCHEMBL8770307 0.76 ITGB3 (0.60) ITGB3ITGA2BKMT2A
SCHEMBL8770567 0.73 ITGB3 (0.70) ITGB3ITGA2BTPSAB1PLGPRSS1
SCHEMBL8770620 0.73 ITGB3 (0.55) ITGB3ITGA2BKMT2A
SCHEMBL21070287 0.71 ALDH1A1 (0.40) KMT2A
SCHEMBL8410357 0.70 ITGB3 (0.51) ITGB3ITGA2BPLGPRSS1PRSS2

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