SCHEMBL4183985

SCHEMBL4183985

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A3 Q01959 3/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A2 P23975 1/20 0.38
OPRD1 P41143 1/20 0.38
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHKA P35790 1/20 0.36
HTT P42858 1/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.35
PSD A5PKW4 1/20 0.35
CNR1 P21554 1/20 0.35
RHEB Q15382 1/20 0.35
MAP2K4 P45985 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
SCHEMBL2065311 0.94 ALDH1A1 (0.40) ALDH1A1L3MBTL1SLC6A3SLC6A4SLC6A2
SCHEMBL4181004 0.88 PDE4D (0.39) ALDH1A1L3MBTL1SLC6A3SLC6A4SLC6A2
SCHEMBL1092147 0.82 PSD (0.35) ALDH1A1L3MBTL1OPRD1CHKAHPGD
SCHEMBL2065491 0.82 PDE4D (0.41) ALDH1A1L3MBTL1SLC6A3SLC6A4SLC6A2
SCHEMBL208481 0.77 SLC6A3 (0.41) ALDH1A1L3MBTL1SLC6A3SLC6A4SLC6A2
SCHEMBL4179157 0.77 LIPC (0.38)
SCHEMBL3902228 0.75 CDK9 (0.40) ALDH1A1L3MBTL1SLC6A3SLC6A4SLC6A2
SCHEMBL1093033 0.73 PSD (0.34) ALDH1A1L3MBTL1OPRD1CHKAPSD
SCHEMBL1092157 0.72 PDE4D (0.32) PSDMAP2K4
SCHEMBL207570 0.70 MAP2K4 (0.35) ALDH1A1L3MBTL1SLC6A3SLC6A4SLC6A2

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