SCHEMBL883906

SCHEMBL883906

O=C(c1ccc(-c2cc(Cl)c(C[C@H]3CCCN(N4CCCC4=O)C3)c(Cl)c2)cc1)N1CCC(O)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.38
EIF4E P06730 1/20 0.37
HTR2B P41595 2/20 0.35
MGLL Q99685 2/20 0.34
GRM5 P41594 1/20 0.34
GRM3 Q14832 1/20 0.34
PDE5A O76074 1/20 0.33
PDE4A P27815 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE7A Q13946 1/20 0.33
PDE1C Q14123 1/20 0.33
PDE3A Q14432 1/20 0.33
PDE7B Q9NP56 1/20 0.33
CCR3 P51677 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
SCHEMBL884195 0.90 SPR (0.35) HRH3HTR2B
SCHEMBL4196923 0.79 HPGD (0.42) HRH3
SCHEMBL4183670 0.78 SPR (0.34) HRH3HTR2BMGLL
SCHEMBL2064354 0.78 HRH3 (0.40) HRH3EIF4EMGLLGRM5GRM3
SCHEMBL2064352 0.78 HRH3 (0.40) HRH3EIF4EMGLLGRM5GRM3
SCHEMBL3908752 0.78 ACLY (0.30)
SCHEMBL4185003 0.77 PDE5A (0.34) HRH3PDE5APDE4APDE1APDE1B
SCHEMBL4189000 0.72 HRH3 (0.34) HRH3PDE5APDE4APDE1APDE1B
SCHEMBL4192647 0.72 HRH3 (0.39) HRH3
SCHEMBL1093013 0.71 HRH3 (0.45) HRH3

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-2016071-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-01-21 EP claimed
WO-2007127765-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-08 WO claimed
EP-2016071-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-01-21 EP disclosed
WO-2007127765-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-08 WO disclosed