SCHEMBL4070101

SCHEMBL4070101

CC(=O)N1CCN(C(=O)c2ccc(-c3cc(Cl)c(CC4CCCC(N5CCCC5=O)C4)c(Cl)c3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.36
PDE4A P27815 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE7A Q13946 1/20 0.36
PDE1C Q14123 1/20 0.36
PDE3A Q14432 1/20 0.36
PDE7B Q9NP56 1/20 0.36
HRH3 Q9Y5N1 10/20 0.36
SLC6A4 P31645 3/20 0.36
VNN1 O95497 2/20 0.35
HPGD P15428 1/20 0.35
CCR3 P51677 1/20 0.35
EIF4E P06730 1/20 0.34

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
SCHEMBL4069500 0.84 HPGD (0.42) PDE5APDE4APDE1APDE1BPDE4B
Hydrochloric Acid SCHEMBL5500156 0.83 HPGD (0.42) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL5501423 0.80 HTR6 (0.34) PDE5APDE1APDE1BPDE4DPDE7A
Hydrochloric Acid SCHEMBL5506619 0.79 HTR6 (0.33) PDE5APDE1APDE1BPDE4DPDE7A
SCHEMBL5504186 0.77 F10 (0.35)
SCHEMBL209326 0.77 HSD11B1 (0.43) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL5509140 0.77 ERN1 (0.43) PDE5APDE1APDE1BPDE4DPDE7A
Hydrochloric Acid SCHEMBL5504522 0.76 ERN1 (0.43) PDE5APDE1APDE1BPDE4DPDE7A
SCHEMBL5499711 0.75 DPP4 (0.36)
SCHEMBL4198712 0.75 PDE7B (0.36) PDE5APDE4APDE1APDE1BPDE4B

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-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