SCHEMBL4183670

SCHEMBL4183670

O=C(c1ccc(-c2cc(Cl)c(CC3CN(N4CCCC4=O)CCC3O)c(Cl)c2)cc1)N1CCC(C(F)(F)F)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPR P35270 7/20 0.34
NAMPT P43490 2/20 0.34
HRH3 Q9Y5N1 3/20 0.32
HTR2B P41595 1/20 0.32
MGLL Q99685 2/20 0.32

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
SCHEMBL4185003 0.88 PDE5A (0.34) HRH3
SCHEMBL4196923 0.88 HPGD (0.42) HRH3
SCHEMBL884195 0.87 SPR (0.35) SPRNAMPTHRH3HTR2B
SCHEMBL4189000 0.86 HRH3 (0.34) SPRNAMPTHRH3
SCHEMBL4194920 0.85 CYP2C9 (0.35) SPRHRH3HTR2B
SCHEMBL4192427 0.79 JAK2 (0.33) HRH3MGLL
SCHEMBL4188991 0.79 ALDH1A1 (0.36) SPRNAMPTHRH3
SCHEMBL883906 0.78 HRH3 (0.38) HRH3HTR2BMGLL
SCHEMBL1092071 0.78 HTR2B (0.37) SPRNAMPTHRH3HTR2BMGLL
SCHEMBL1092073 0.78 HTR2B (0.37) SPRNAMPTHRH3HTR2BMGLL

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-2021336-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-02-11 EP claimed
WO-2007127688-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-08 WO claimed
EP-2021336-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-02-11 EP disclosed
WO-2007127688-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-08 WO disclosed