SCHEMBL24399524

SCHEMBL24399524

CC[C@H]1C[C@H](N)c2ccccc2-c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.43
SLC6A2 P23975 6/20 0.40
SLC6A3 Q01959 6/20 0.40
SLC6A4 P31645 4/20 0.39
ACHE P22303 2/20 0.36
BCHE P06276 1/20 0.36
GPR3 P46089 1/20 0.35
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 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
SCHEMBL26828793 0.86 SLC6A2 (0.43) HTR2ASLC6A2SLC6A3SLC6A4CYP11B1
SCHEMBL18533264 0.70 ACHE (0.39) ACHEBCHECYP1A2CYP2C19
SCHEMBL568436 0.69 HTR2C (0.49) HTR2AACHEBCHECYP11B1CYP11B2
SCHEMBL13627639 0.69 SLC6A2 (0.44) HTR2ASLC6A2SLC6A3SLC6A4ACHE
SCHEMBL7162181 0.68 ALDH1A1 (0.39) TSHR
SCHEMBL5698308 0.68 CYP11B1 (0.33) CYP11B1CYP11B2CYP1A2TSHRCYP2C19
SCHEMBL24819932 0.68 CYP11B1 (0.33) CYP11B1CYP11B2CYP1A2TSHRCYP2C19
SCHEMBL19237102 0.68 CDK8 (0.43) HTR2AACHEBCHEGPR3CYP11B1
SCHEMBL8105441 0.68 NOS2 (0.39) HTR2AGPR3CYP11B1CYP11B2TSHR
SCHEMBL7936081 0.68 CYSLTR2 (0.38) SLC6A2SLC6A3SLC6A4ACHEBCHE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022090523-A1 CHIRAL POLYMERS AND USE THEREOF CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2022-05-05 WO disclosed