SCHEMBL7275037

SCHEMBL7275037

COC(=O)CCc1ccc(N2CCN(c3ccc(C#N)cc3)C2=O)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
POLB P06746 1/20 0.39
USP14 P54578 1/20 0.39
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
ALOX5 P09917 1/20 0.37
OR51E2 Q9H255 1/20 0.37
TSHR P16473 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
CHEK1 O14757 1/20 0.36
HDAC1 Q13547 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
SCHEMBL7281550 0.94 CYP11B1 (0.40) CYP11B1CYP11B2USP14HTR1ADRD2
SCHEMBL7274503 0.89 CYP11B1 (0.43) CYP11B1CYP11B2USP14ALDH1A1HDAC1
SCHEMBL7275719 0.88 CYP11B1 (0.45) CYP11B1CYP11B2USP14KDM4EALDH1A1
SCHEMBL7273619 0.88 CYP11B1 (0.42) CYP11B1CYP11B2USP14KDM4EALDH1A1
SCHEMBL7282605 0.88 CYP11B1 (0.50) CYP11B1CYP11B2POLBUSP14ALDH1A1
SCHEMBL7275306 0.87 CYP11B1 (0.41) CYP11B1CYP11B2USP14HTR1ADRD2
Hydrochloric Acid SCHEMBL8571479 0.86 CYP11B1 (0.49) CYP11B1CYP11B2POLBUSP14ALDH1A1
SCHEMBL7276195 0.86 CYP11B1 (0.41) CYP11B1CYP11B2USP14ALDH1A1
SCHEMBL7282157 0.85 CYP11B1 (0.41) CYP11B1CYP11B2USP14ALDH1A1HDAC1
SCHEMBL7281169 0.83 CYP11B1 (0.48) CYP11B1CYP11B2USP14ALDH1A1

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