SCHEMBL4196923

SCHEMBL4196923

O=C(c1ccc(-c2cc(Cl)c(CC3CN(N4CCCC4=O)CCC3O)c(Cl)c2)cc1)N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HRH3 Q9Y5N1 11/20 0.40
SLC6A3 Q01959 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
DRD4 P21917 1/20 0.40
SLC6A2 P23975 1/20 0.40
HRH2 P25021 1/20 0.40
SLC6A4 P31645 1/20 0.40
HRH1 P35367 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
PKM P14618 2/20 0.39
PHGDH O43175 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL4185003 0.89 PDE5A (0.34) HPGDALDH1A1HRH3NPSR1
SCHEMBL4183670 0.88 SPR (0.34) HRH3
SCHEMBL4192647 0.85 HRH3 (0.39) HPGDALDH1A1HRH3SLC6A3CHRM2
SCHEMBL4192427 0.80 JAK2 (0.33) HPGDALDH1A1HRH3SLC6A4HRH1
SCHEMBL883906 0.79 HRH3 (0.38) HRH3
SCHEMBL4181628 0.78
SCHEMBL1093016 0.77 HRH3 (0.45) HPGDHRH3SLC6A3CHRM2CHRM1
SCHEMBL1093013 0.77 HRH3 (0.45) HPGDHRH3SLC6A3CHRM2CHRM1
SCHEMBL4179199 0.76 PDE5A (0.34) HRH3KMT2A
SCHEMBL4190944 0.75 MAPK14 (0.33)

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-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