SCHEMBL7274786

SCHEMBL7274786

COC(=O)CCc1ccc(N2CCN(c3ccc(C#N)cc3S(C)(=O)=O)C2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
SLC6A9 P48067 4/20 0.35
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
USP14 P54578 1/20 0.34
EP300 Q09472 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
RORC P51449 1/20 0.34
S1PR1 P21453 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
SCHEMBL7276195 0.94 CYP11B1 (0.41) CYP11B1CYP11B2ALDH1A1MAPTSLC6A9
SCHEMBL7282157 0.87 CYP11B1 (0.41) CYP11B1CYP11B2ALDH1A1MAPTPPARG
SCHEMBL7281550 0.86 CYP11B1 (0.40) CYP11B1CYP11B2USP14HRH3
SCHEMBL7282605 0.85 CYP11B1 (0.50) CYP11B1CYP11B2ALDH1A1MAPTGAA
SCHEMBL7281149 0.84 CYP11B1 (0.39) CYP11B1CYP11B2ALDH1A1MAPTPPARG
Hydrochloric Acid SCHEMBL8571479 0.84 CYP11B1 (0.49) CYP11B1CYP11B2ALDH1A1MAPTGAA
SCHEMBL7274503 0.83 CYP11B1 (0.43) CYP11B1CYP11B2ALDH1A1MAPTPPARG
SCHEMBL7275719 0.82 CYP11B1 (0.45) CYP11B1CYP11B2ALDH1A1MAPTGAA
SCHEMBL7275037 0.82 CYP11B1 (0.42) CYP11B1CYP11B2ALDH1A1USP14
SCHEMBL7273619 0.82 CYP11B1 (0.42) CYP11B1CYP11B2ALDH1A1MAPTPPARG

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