SCHEMBL4058807

SCHEMBL4058807

O=C(c1ccc(-c2cc(Cl)c(C[C@@H]3COCCC3N3CCCC3=O)c(Cl)c2)cc1)N1CCC(C(F)(F)F)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
SPR P35270 5/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
NAMPT P43490 1/20 0.34
HRH3 Q9Y5N1 5/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
ERN1 O75460 1/20 0.33
VNN1 O95497 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
DRD4 P21917 1/20 0.33
SLC6A2 P23975 1/20 0.33
HRH2 P25021 1/20 0.33
SLC6A4 P31645 1/20 0.33
HRH1 P35367 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL4188991 0.81 ALDH1A1 (0.36) NPSR1SPRALDH1A1HPGDNAMPT
SCHEMBL4206238 0.78 VNN1 (0.36) SPRNAMPTHRH3VNN1
SCHEMBL4183670 0.77 SPR (0.34) SPRNAMPTHRH3
SCHEMBL4062776 0.77 VNN1 (0.34) SPRHRH3VNN1
SCHEMBL209312 0.77 HRH3 (0.38) NPSR1SPRNAMPTHRH3ERN1
SCHEMBL209313 0.77 HRH3 (0.38) NPSR1SPRNAMPTHRH3ERN1
SCHEMBL4061678 0.76 F10 (0.30)
SCHEMBL3948806 0.75 NPY1R (0.39) HRH3KCNH2
SCHEMBL1092867 0.75 NAMPT (0.45) SPRALDH1A1HPGDNAMPT
SCHEMBL884195 0.75 SPR (0.35) SPRNAMPTHRH3KMT2A

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-2016047-A1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11- BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-01-21 EP claimed
WO-2007124337-A1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11- BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-01 WO claimed
EP-2016047-A1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11- BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-01-21 EP disclosed
WO-2007124337-A1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11- BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-01 WO disclosed