SCHEMBL7274570

SCHEMBL7274570

N=C(N)c1ccc(N2CCN(c3ccc(CCC(=O)O)cc3)C2=O)cc1F

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.51
ITGA2B P08514 9/20 0.51
S1PR1 P21453 1/20 0.43
F10 P00742 3/20 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
FFAR4 Q5NUL3 1/20 0.36
RAB9A P51151 1/20 0.36
FFAR1 O14842 2/20 0.35
AOC3 Q16853 1/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL7274065 0.87 ITGB3 (0.51) ITGB3ITGA2BS1PR1F10F2
Hydrochloric Acid SCHEMBL7272076 0.86 F10 (0.38) ITGB3ITGA2BS1PR1F10F2
SCHEMBL7274080 0.82 ITGB3 (0.74) ITGB3ITGA2BS1PR1F10F2
SCHEMBL7273999 0.82 S1PR1 (0.44) ITGB3ITGA2BS1PR1PPARDPPARA
SCHEMBL7283193 0.80 ITGB3 (0.57) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7275941 0.80 ITGB3 (0.48) ITGB3ITGA2BS1PR1F10F2
SCHEMBL7275097 0.79 S1PR1 (0.52) ITGB3ITGA2BS1PR1PPARDPPARA
SCHEMBL7284477 0.78 ITGB3 (0.70) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7283073 0.78 S1PR1 (0.47) ITGB3ITGA2BS1PR1RAB9A
SCHEMBL8573861 0.77 ITGB3 (0.47) ITGB3ITGA2BS1PR1F10F2

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