SCHEMBL7280879

SCHEMBL7280879

N=C(N)c1ccc(-c2ccc(N3CCN(CCC(=O)O)C3=O)c(Br)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.44
ITGA2B P08514 19/20 0.44
S1PR1 P21453 1/20 0.39

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
SCHEMBL7281133 0.90 ITGB3 (0.45) ITGB3ITGA2BS1PR1
Hydrochloric Acid SCHEMBL7282706 0.87 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL7279862 0.86 ITGB3 (0.46) ITGB3ITGA2BS1PR1
SCHEMBL7272618 0.86 ITGB3 (0.44) ITGB3ITGA2BS1PR1
SCHEMBL7274193 0.85 ITGB3 (0.41) ITGB3ITGA2BS1PR1
SCHEMBL7284720 0.85 ITGB3 (0.43) ITGB3ITGA2BS1PR1
SCHEMBL7280721 0.84 S1PR1 (0.54) ITGB3ITGA2BS1PR1
SCHEMBL7284822 0.84 ITGB3 (0.42) ITGB3ITGA2BS1PR1
SCHEMBL7276691 0.84 ITGB3 (0.42) ITGB3ITGA2BS1PR1
SCHEMBL7281601 0.83 ITGB3 (0.41) ITGB3ITGA2BS1PR1

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