SCHEMBL4192647

SCHEMBL4192647

CC(C)[Si](OC1CCN(N2CCCC2=O)CC1Cc1c(Cl)cc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1Cl)(C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
DRD4 P21917 1/20 0.39
SLC6A2 P23975 1/20 0.39
HRH2 P25021 1/20 0.39
SLC6A4 P31645 1/20 0.39
HRH1 P35367 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MET P08581 1/20 0.36
PKM P14618 1/20 0.35
BMPR1B O00238 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
SCHEMBL4179199 0.91 PDE5A (0.34) HRH3KMT2AMETLRRK2
SCHEMBL4189000 0.89 HRH3 (0.34) HRH3KMT2AMETLRRK2
SCHEMBL4196923 0.85 HPGD (0.42) HRH3CHRM2CHRM1ADRA2CCHRM3
SCHEMBL4195123 0.83 LRRK2 (0.33) HRH3SLC6A4HRH1METLRRK2
SCHEMBL4186193 0.83 PDE4B (0.34)
SCHEMBL4186181 0.83 MCHR1 (0.30)
SCHEMBL4184706 0.81
SCHEMBL1092804 0.79 ALDH1A1 (0.41) HRH3CHRM2CHRM1ADRA2CCHRM3
SCHEMBL1092806 0.79 ALDH1A1 (0.41) HRH3CHRM2CHRM1ADRA2CCHRM3
SCHEMBL4191491 0.78 MAPK14 (0.32)

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