SCHEMBL7274465

SCHEMBL7274465

N=C(N)c1ccc(N2CCN(CCc3ccc(C(=O)O)cc3)C2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.60
ITGB3 P05106 7/20 0.51
ITGA2B P08514 7/20 0.51
S1PR1 P21453 1/20 0.50
F10 P00742 3/20 0.44
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
RAB9A P51151 1/20 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
SCHEMBL7283756 0.86 HDAC1 (0.55) HDAC1ITGB3ITGA2BS1PR1F10
SCHEMBL7274080 0.80 ITGB3 (0.74) ITGB3ITGA2BS1PR1F10F2
SCHEMBL7401407 0.80 ITGB3 (0.50) HDAC1ITGB3ITGA2BF10F2
SCHEMBL7280721 0.80 S1PR1 (0.54) HDAC1ITGB3ITGA2BS1PR1F10
SCHEMBL7274316 0.80 ITGB3 (0.61) HDAC1ITGB3ITGA2BS1PR1
Hydrochloric Acid SCHEMBL7404001 0.79 F10 (0.51) HDAC1ITGB3ITGA2BF10F2
SCHEMBL7271946 0.78 ITGB3 (0.63) ITGB3ITGA2BS1PR1F10F2
SCHEMBL7281172 0.78 ITGB3 (0.56) HDAC1ITGB3ITGA2BS1PR1
SCHEMBL7275468 0.78 ITGB3 (0.53) HDAC1ITGB3ITGA2BS1PR1F10
SCHEMBL7273113 0.78 ITGB3 (0.48) HDAC1ITGB3ITGA2BS1PR1

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