SCHEMBL8575548

SCHEMBL8575548

COC(=O)CCc1cn(-c2ccc(C#N)cc2)c(=O)n1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
HSD11B1 P28845 1/20 0.40
TSHR P16473 2/20 0.38
PDE10A Q9Y233 1/20 0.38
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FAAH O00519 1/20 0.35
GAA P10253 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
SCHEMBL7272706 0.85 MAPT (0.43) CYP11B1CYP11B2ALDH1A1MAPTMEN1
SCHEMBL7274756 0.85 MAPT (0.43) CYP11B1CYP11B2ALDH1A1MAPTMEN1
SCHEMBL8575966 0.81 CYP11B1 (0.40) CYP11B1CYP11B2TSHRALDH1A1LMNA
SCHEMBL7281878 0.80 CYP11B1 (0.46) CYP11B1CYP11B2ALDH1A1LMNAMAPT
SCHEMBL7275527 0.80 CYP11B1 (0.46) CYP11B1CYP11B2ALDH1A1LMNAMAPT
SCHEMBL7275031 0.76 CYP11B1 (0.42) CYP11B1CYP11B2ALDH1A1L3MBTL1MAPT
SCHEMBL7272767 0.76 CYP11B1 (0.42) CYP11B1CYP11B2ALDH1A1L3MBTL1MAPT
SCHEMBL7281223 0.75 CYP11B1 (0.51) CYP11B1CYP11B2ALDH1A1LMNAMAPT
SCHEMBL7281800 0.74 CYP11B1 (0.42) CYP11B1CYP11B2TSHRPDE10AALDH1A1
SCHEMBL7275043 0.74 CYP11B1 (0.42) CYP11B1CYP11B2TSHRPDE10AALDH1A1

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 1 patent. 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