SCHEMBL884195

SCHEMBL884195

O=C(c1ccc(-c2cc(Cl)c(C[C@H]3CCCN(N4CCCC4=O)C3)c(Cl)c2)cc1)N1CCC(C(F)(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPR P35270 7/20 0.35
NAMPT P43490 2/20 0.35
HTR2B P41595 2/20 0.34
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 1/20 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
SCHEMBL883906 0.90 HRH3 (0.38) HTR2BHRH3
SCHEMBL4183670 0.87 SPR (0.34) SPRNAMPTHTR2BHRH3
SCHEMBL4189000 0.81 HRH3 (0.34) SPRNAMPTKMT2AHRH3
SCHEMBL4188991 0.80 ALDH1A1 (0.36) SPRNAMPTHRH3
SCHEMBL2065163 0.80 L3MBTL1 (0.39) SPRNAMPTHTR2BKMT2A
SCHEMBL2023490 0.80 L3MBTL1 (0.39) SPRNAMPTHTR2BKMT2A
SCHEMBL1093931 0.76 NAMPT (0.46) SPRNAMPTHTR2B
SCHEMBL1093625 0.76 HTR2B (0.37) SPRNAMPTHTR2BHRH3
SCHEMBL1092071 0.76 HTR2B (0.37) SPRNAMPTHTR2BHRH3
SCHEMBL1092073 0.76 HTR2B (0.37) SPRNAMPTHTR2BHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2016071-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-01-21 EP claimed
WO-2007127765-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-08 WO claimed
EP-2016071-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-01-21 EP disclosed
WO-2007127765-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-08 WO disclosed