SCHEMBL4185003

SCHEMBL4185003

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.34
PDE4A P27815 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE7A Q13946 1/20 0.34
PDE1C Q14123 1/20 0.34
PDE3A Q14432 1/20 0.34
PDE7B Q9NP56 1/20 0.34
LRRK2 Q5S007 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
HRH3 Q9Y5N1 7/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 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
SCHEMBL4192427 0.91 JAK2 (0.33) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL4196923 0.89 HPGD (0.42) HRH3ALDH1A1NPSR1HPGD
SCHEMBL4183670 0.88 SPR (0.34) HRH3
SCHEMBL4179199 0.86 PDE5A (0.34) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL4195123 0.78 LRRK2 (0.33) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL1092387 0.77 FASN (0.35) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL883906 0.77 HRH3 (0.38) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL1092385 0.77 FASN (0.35) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL4181628 0.77
SCHEMBL4192647 0.76 HRH3 (0.39) LRRK2HRH3ALDH1A1NPSR1HPGD

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