SCHEMBL7274697

SCHEMBL7274697

N=C(N)c1ccc(-c2ccc(-n3cnn(CCC(=O)O)c3=O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.47
ITGA2B P08514 16/20 0.47
ROCK2 O75116 1/20 0.40
NQO2 P16083 1/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 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 SCHEMBL7276941 0.85 PPARD (0.38) ITGB3ITGA2BROCK2NQO2PPARG
SCHEMBL7284096 0.79 ITGB3 (0.45) ITGB3ITGA2BROCK2NQO2
SCHEMBL7273726 0.78 ITGB3 (0.46) ITGB3ITGA2BNQO2
SCHEMBL7274749 0.77 ITGB3 (0.46) ITGB3ITGA2BROCK2
SCHEMBL7274348 0.75 ITGB3 (0.59) ITGB3ITGA2BPPARDPPARA
SCHEMBL7276761 0.75 ITGB3 (0.59) ITGB3ITGA2BPPARDPPARA
SCHEMBL7404093 0.74 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL7275069 0.72 ROCK2 (0.45) ITGB3ITGA2BROCK2NQO2
SCHEMBL7394701 0.72 ITGB3 (0.41) ITGB3ITGA2B
SCHEMBL7394704 0.72 ITGB3 (0.41) ITGB3ITGA2B

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