SCHEMBL4189838

SCHEMBL4189838

CC(C)N1CCN(C(=O)c2ccc(-c3cc(Cl)c(C(C4CCCCC4)C4CCNC4=O)c(Cl)c3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.45
HRH3 Q9Y5N1 12/20 0.43
PDE5A O76074 1/20 0.41
PDE4A P27815 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE7A Q13946 1/20 0.41
PDE1C Q14123 1/20 0.41
PDE3A Q14432 1/20 0.41
PDE7B Q9NP56 1/20 0.41
MET P08581 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL4551238 0.90 PDE5A (0.41) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL210020 0.89 PDE5A (0.40) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL208725 0.89 PDE5A (0.39) HRH3PDE5APDE4APDE1APDE1B
SCHEMBL4180949 0.87 BMPR1B (0.43) HRH3KMT2A
SCHEMBL210631 0.86 MEN1 (0.48) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL209390 0.86 P2RX7 (0.40) HRH3PDE5APDE4APDE1APDE1B
SCHEMBL4176183 0.85 PDE7B (0.39) HRH3PDE5APDE4APDE1APDE1B
SCHEMBL4194240 0.85 SPR (0.38) PDE5APDE4APDE1APDE1BPDE4B
Hydrochloric Acid SCHEMBL4176185 0.84 PDE7B (0.39) HRH3PDE5APDE4APDE1APDE1B
SCHEMBL209307 0.83 PDE4D (0.41) 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-2021337-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-02-11 EP disclosed
WO-2007127726-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-08 WO disclosed