SCHEMBL7275271

SCHEMBL7275271

COC(=O)CCc1ccc(N2CCN(c3ccc(C#N)cc3)C2=S)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
USP14 P54578 1/20 0.40
KCNH2 Q12809 3/20 0.40
KCNJ1 P48048 2/20 0.40
HTT P42858 1/20 0.39
EP300 Q09472 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 1/20 0.38
DRD4 P21917 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38

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
SCHEMBL7282605 0.89 CYP11B1 (0.50) CYP11B1CYP11B2ALDH1A1MAPTCYP3A4
Hydrochloric Acid SCHEMBL8571479 0.88 CYP11B1 (0.49) CYP11B1CYP11B2ALDH1A1MAPTCYP3A4
SCHEMBL7281169 0.85 CYP11B1 (0.48) CYP11B1CYP11B2ALDH1A1MAPTCYP3A4
SCHEMBL1338556 0.83 CYP11B1 (0.60) CYP11B1CYP11B2ALDH1A1MAPTHTT
SCHEMBL7272668 0.82 CYP11B1 (0.46) CYP11B1CYP11B2ALDH1A1CYP3A4CYP2C19
SCHEMBL9138661 0.81 CYP11B1 (0.49) CYP11B1CYP11B2ALDH1A1MAPTCYP3A4
SCHEMBL7282052 0.81 CYP11B1 (0.47) CYP11B1CYP11B2ALDH1A1MAPTCYP3A4
SCHEMBL3628694 0.79 CYP11B1 (0.56) CYP11B1CYP11B2ALDH1A1MAPTHSD17B10
Hydrochloric Acid SCHEMBL8573704 0.79 ITGB3 (0.52) HRH3
SCHEMBL7282157 0.79 CYP11B1 (0.41) CYP11B1CYP11B2ALDH1A1MAPTHRH3

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