SCHEMBL4181004

SCHEMBL4181004

O=C(O)c1ccc(-c2cc(Cl)c(C(C3CCCNC3=O)N3CCCC3)c(Cl)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.39
PDE5A O76074 2/20 0.39
PDE1A P54750 2/20 0.39
PDE1B Q01064 2/20 0.39
PDE7A Q13946 2/20 0.39
PDE1C Q14123 2/20 0.39
PDE3A Q14432 2/20 0.39
RXRA P19793 4/20 0.37
RXRB P28702 4/20 0.37
TDP1 Q9NUW8 2/20 0.36
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
OPRD1 P41143 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
TP53 P04637 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
RXRG P48443 2/20 0.33

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
SCHEMBL2065491 0.94 PDE4D (0.41) PDE4DPDE5APDE1APDE1BPDE7A
SCHEMBL4183985 0.88 ALDH1A1 (0.40) SLC6A4SLC6A3OPRD1ALDH1A1L3MBTL1
SCHEMBL2065311 0.82 ALDH1A1 (0.40) SLC6A4SLC6A3OPRD1ALDH1A1L3MBTL1
Trifluoroacetic Acid SCHEMBL4185040 0.81 DPP4 (0.37) PDE4DPDE5APDE1APDE1BPDE7A
SCHEMBL1092157 0.79 PDE4D (0.32) PDE4DPDE5APDE1APDE1BPDE7A
SCHEMBL3908761 0.73 CDK9 (0.36) PDE4DPDE5APDE1APDE1BPDE7A
SCHEMBL4067647 0.72 POLB (0.37) PDE4DPDE5APDE1APDE1BPDE7A
SCHEMBL1092228 0.70 PDE4A (0.33) PDE4DRXRARXRBPDE4APDE4B
SCHEMBL1094081 0.70 PDE4A (0.33) PDE4DRXRARXRBPDE4APDE4B
SCHEMBL4207175 0.70 PDE5A (0.39) PDE4DPDE5APDE1APDE1BPDE7A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021337-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-02-11 EP disclosed
WO-2007127726-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-08 WO disclosed