SCHEMBL7282157

SCHEMBL7282157

COC(=O)CCc1ccc(N2CCN(c3ccc(C#N)cc3C)C2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
FFAR1 O14842 2/20 0.40
USP14 P54578 4/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
EP300 Q09472 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
S1PR1 P21453 1/20 0.35
ADAM10 O14672 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP14 P50281 1/20 0.35
ADAM17 P78536 1/20 0.35
PARP1 P09874 1/20 0.35
TNK2 Q07912 1/20 0.35
TNK1 Q13470 1/20 0.35

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
SCHEMBL7274503 0.94 CYP11B1 (0.43) CYP11B1CYP11B2FFAR1USP14PPARG
SCHEMBL7281550 0.89 CYP11B1 (0.40) CYP11B1CYP11B2FFAR1USP14HRH3
SCHEMBL7282605 0.88 CYP11B1 (0.50) CYP11B1CYP11B2USP14PPARGPPARD
SCHEMBL7281149 0.87 CYP11B1 (0.39) CYP11B1CYP11B2FFAR1USP14PPARG
Hydrochloric Acid SCHEMBL8571479 0.87 CYP11B1 (0.49) CYP11B1CYP11B2USP14PPARGPPARD
SCHEMBL7274786 0.87 CYP11B1 (0.39) CYP11B1CYP11B2USP14PPARGPPARD
SCHEMBL7273619 0.85 CYP11B1 (0.42) CYP11B1CYP11B2USP14PPARGPPARD
SCHEMBL7275719 0.85 CYP11B1 (0.45) CYP11B1CYP11B2USP14PPARGPPARD
SCHEMBL7275037 0.85 CYP11B1 (0.42) CYP11B1CYP11B2USP14ALDH1A1HDAC1
SCHEMBL7272457 0.85 IDO1 (0.40) CYP11B1CYP11B2PPARGPPARDPPARA

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