SCHEMBL7273619

SCHEMBL7273619

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
KDM1A O60341 6/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
USP14 P54578 2/20 0.39
METAP2 P50579 1/20 0.39
KCNH2 Q12809 3/20 0.37
EP300 Q09472 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 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
SCHEMBL7274503 0.89 CYP11B1 (0.43) CYP11B1CYP11B2USP14METAP2EP300
SCHEMBL7275719 0.88 CYP11B1 (0.45) CYP11B1CYP11B2USP14METAP2EP300
SCHEMBL7275037 0.88 CYP11B1 (0.42) CYP11B1CYP11B2USP14KDM4EALDH1A1
SCHEMBL7282605 0.88 CYP11B1 (0.50) CYP11B1CYP11B2USP14METAP2KCNH2
SCHEMBL7275306 0.87 CYP11B1 (0.41) CYP11B1CYP11B2USP14METAP2KCNH2
Hydrochloric Acid SCHEMBL8571479 0.86 CYP11B1 (0.49) CYP11B1CYP11B2USP14METAP2KCNH2
SCHEMBL7276195 0.86 CYP11B1 (0.41) CYP11B1CYP11B2USP14METAP2EP300
SCHEMBL7282157 0.85 CYP11B1 (0.41) CYP11B1CYP11B2USP14EP300HTT
SCHEMBL7281550 0.84 CYP11B1 (0.40) CYP11B1CYP11B2USP14
SCHEMBL7281169 0.83 CYP11B1 (0.48) CYP11B1CYP11B2USP14KCNH2EP300

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