SCHEMBL7274065

SCHEMBL7274065

N=C(N)c1ccc(N2CCN(c3ccc(CCC(=O)O)cc3)C2=O)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.51
ITGA2B P08514 10/20 0.51
S1PR1 P21453 1/20 0.43
F10 P00742 4/20 0.40
F2 P00734 2/20 0.40
PRSS1 P07477 1/20 0.40
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
FFAR1 O14842 2/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL7274570 0.87 ITGB3 (0.51) ITGB3ITGA2BS1PR1F10F2
Hydrochloric Acid SCHEMBL7275346 0.86 F10 (0.38) ITGB3ITGA2BS1PR1F10F2
SCHEMBL7274080 0.82 ITGB3 (0.74) ITGB3ITGA2BS1PR1F10F2
SCHEMBL7275941 0.80 ITGB3 (0.48) ITGB3ITGA2BS1PR1F10F2
SCHEMBL7281126 0.80 ITGB3 (0.57) ITGB3ITGA2BF10F2PRSS1
SCHEMBL2480498 0.79 FFAR1 (0.47) ITGB3ITGA2BFFAR1
SCHEMBL7284477 0.78 ITGB3 (0.70) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7282539 0.78 S1PR1 (0.47) ITGB3ITGA2BS1PR1GRIN1
SCHEMBL8573861 0.77 ITGB3 (0.47) ITGB3ITGA2BS1PR1F10F2
SCHEMBL7275097 0.77 S1PR1 (0.52) ITGB3ITGA2BS1PR1PPARDPPARA

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