SCHEMBL7274155

SCHEMBL7274155

COC(=O)CCc1ccc(-c2cn(-c3ccc(C#N)cc3)c(=O)n2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
MAPT P10636 10/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 7/20 0.42
TDP1 Q9NUW8 3/20 0.42
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PSMD14 O00487 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ABCB1 P08183 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
SCHEMBL7275057 1.00 CYP11B1 (0.46) CYP11B1CYP11B2MAPTPOLBKDM4E
SCHEMBL7275399 0.88 CYP11B1 (0.45) CYP11B1CYP11B2MAPTPOLBKDM4E
SCHEMBL7283023 0.88 CYP11B1 (0.45) CYP11B1CYP11B2MAPTPOLBKDM4E
SCHEMBL7272706 0.87 MAPT (0.43) CYP11B1CYP11B2MAPTPOLBKDM4E
SCHEMBL7274756 0.87 MAPT (0.43) CYP11B1CYP11B2MAPTPOLBKDM4E
SCHEMBL7281223 0.84 CYP11B1 (0.51) CYP11B1CYP11B2MAPTPOLBKDM4E
SCHEMBL7281878 0.83 CYP11B1 (0.46) CYP11B1CYP11B2MAPTPOLBKDM4E
SCHEMBL7275527 0.83 CYP11B1 (0.46) CYP11B1CYP11B2MAPTPOLBKDM4E
Hydrochloric Acid SCHEMBL7283361 0.81 ITGB3 (0.43) MAPTKDM4EHRH3ALDH1A1PSMD14
SCHEMBL7283880 0.81 CYP11B1 (0.44) CYP11B1CYP11B2MAPTPOLBKDM4E

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