SCHEMBL7274246

SCHEMBL7274246

CNCc1ccc(N2CCN(c3ccc(CCC(=O)O)cc3)C2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.52
FFAR1 O14842 9/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
FFAR4 Q5NUL3 2/20 0.43
HDAC1 Q13547 1/20 0.42
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
KEAP1 Q14145 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL7283131 0.87 HRH3 (0.43) S1PR1HDAC1EPHX2L3MBTL1
SCHEMBL7274915 0.85 S1PR1 (0.54) S1PR1FFAR1ITGB3ITGA2BPPARD
SCHEMBL20943216 0.82 FFAR1 (0.61) FFAR1FFAR4EPHX2NR1H4KEAP1
SCHEMBL7275936 0.82 ITGB3 (0.52) S1PR1FFAR1ITGB3ITGA2BPPARD
SCHEMBL7275097 0.82 S1PR1 (0.52) S1PR1FFAR1ITGB3ITGA2BPPARD
SCHEMBL7396722 0.82 S1PR1 (0.52) S1PR1FFAR1ITGB3ITGA2BPPARD
SCHEMBL7275491 0.82 S1PR1 (0.52) S1PR1FFAR1ITGB3ITGA2BPPARD
SCHEMBL7273941 0.81 HDAC1 (0.53) S1PR1FFAR1ITGB3ITGA2BPPARD
SCHEMBL7285127 0.79 S1PR1 (0.50) S1PR1FFAR1ITGB3ITGA2BPPARD
SCHEMBL7283153 0.79 S1PR1 (0.50) S1PR1FFAR1ITGB3ITGA2BPPARD

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