SCHEMBL7275679

SCHEMBL7275679

CSc1cc(-c2ccc(C#N)cc2)ccc1N1CCNC1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.41
OTUD7B Q6GQQ9 2/20 0.35
HSD17B3 P37058 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH4 Q9H3N8 2/20 0.34
CHEK1 O14757 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
PGR P06401 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
SLC6A7 Q99884 1/20 0.34
PRKDC P78527 1/20 0.34
SCN7A Q01118 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
MAP4K4 O95819 1/20 0.33

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
SCHEMBL7275355 0.80 OPRL1 (0.41) CRHR1
SCHEMBL7282701 0.75 KDM4E (0.45) MEN1KMT2AHRH3HRH2HRH1
SCHEMBL7274094 0.74 CRHR1 (0.38) CRHR1ALOX5APFEN1
SCHEMBL7276428 0.74 KCNH2 (0.35) HRH4HRH3HRH2HRH1SCN7A
SCHEMBL7272997 0.72 EGLN1 (0.37) HRH3HRH2HRH1
SCHEMBL7274342 0.70 MAP4K4 (0.45) HRH4PGRHRH3MAP4K4
SCHEMBL2713004 0.70 KDM4E (0.49) HRH3
SCHEMBL7274789 0.69 OPRM1 (0.48) MEN1KMT2AHRH4CHEK1SLC6A7
SCHEMBL7276166 0.68 HRH4 (0.41) CRHR1HRH4HRH3
SCHEMBL7285116 0.68 MMP3 (0.50) MEN1KMT2AHRH3MAP4K4

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