SCHEMBL7283149

SCHEMBL7283149

N=C(N)c1ccc(-c2ccc(N3CCN(CCC(=O)O)C3=O)nn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.43
ITGA2B P08514 19/20 0.43
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
Hydrochloric Acid SCHEMBL7274527 0.87 ITGB3 (0.38) ITGB3ITGA2B
SCHEMBL7282721 0.82 S1PR1 (0.39) S1PR1
SCHEMBL7280721 0.81 S1PR1 (0.54) ITGB3ITGA2BS1PR1
SCHEMBL7275697 0.80 S1PR1 (0.47) ITGB3ITGA2BS1PR1
SCHEMBL8949313 0.80 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL7275573 0.79 S1PR1 (0.44) ITGB3ITGA2BS1PR1
SCHEMBL7281133 0.77 ITGB3 (0.45) ITGB3ITGA2BS1PR1
SCHEMBL7280879 0.76 ITGB3 (0.44) ITGB3ITGA2BS1PR1
SCHEMBL7282861 0.75 ITGB3 (0.49) ITGB3ITGA2BS1PR1
SCHEMBL7272618 0.75 ITGB3 (0.44) 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