SCHEMBL7280965

SCHEMBL7280965

COC(=O)CCc1ccc(N2CCN(c3ccc(C(=O)OCC(C)C)cc3C(=N)N)C2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
HDAC1 Q13547 2/20 0.35
OPRM1 P35372 2/20 0.35
OPRK1 P41145 2/20 0.35
F10 P00742 6/20 0.34
F2 P00734 5/20 0.34
PRSS1 P07477 5/20 0.34
OPRD1 P41143 1/20 0.34
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
ADRB2 P07550 2/20 0.32
ADRB1 P08588 2/20 0.32
ADRB3 P13945 1/20 0.32

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
SCHEMBL7275727 0.91 ITGB3 (0.37) ITGB3ITGA2BHDAC1OPRM1OPRK1
SCHEMBL7281403 0.91 ITGB3 (0.39) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7274583 0.90 ITGB3 (0.40) ITGB3ITGA2BHDAC1F10F2
SCHEMBL8573568 0.88 ITGB3 (0.38) ITGB3ITGA2BHDAC1OPRM1OPRK1
SCHEMBL7281448 0.88 SRD5A1 (0.41) ITGB3ITGA2BHDAC1F10F2
SCHEMBL7285027 0.85 ITGB3 (0.42) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7283803 0.83 ITGB3 (0.36) ITGB3ITGA2BHDAC1F10F2
SCHEMBL7276094 0.82 ITGB3 (0.47) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7280958 0.80 HDAC1 (0.40) ITGB3ITGA2BPLA2G1BATG4BHDAC1
SCHEMBL7281659 0.79 ALDH1A1 (0.39) ITGB3ITGA2BF10F2PRSS1

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
US-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed
US-5650424-A ANTIAGGLOMERANTS USING IMIDAZOLIDINDIONES DR. KARL THOMAE GMBH (DE) 1997-07-22 US disclosed
EP-0503548-B1 Cyclic urea derivatives, medicaments contaning them and process for their preparation THOMAE GMBH DR K (DE) 1997-06-04 EP disclosed
US-5478942-A Antiinflammatory agents, antiagglomerants KARL THOMAE GMBH (DE) 1995-12-26 US disclosed
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed
EP-0503548-A1 Cyclic urea derivatives, medicaments contaning them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-16 EP disclosed