SCHEMBL25522982

SCHEMBL25522982

CNC1c2ccccc2CC12CC2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.42
HTR2A P28223 3/20 0.41
HRH1 P35367 3/20 0.41
SLC6A2 P23975 8/20 0.36
SLC6A4 P31645 8/20 0.36
SIGMAR1 Q99720 3/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36
KDM1A O60341 1/20 0.35
CYP2D6 P10635 7/20 0.35
SLC6A3 Q01959 5/20 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
SCHEMBL24388852 0.89 HTR2A (0.38) PDPK1HTR2AHRH1SLC6A2SLC6A4
SCHEMBL21921154 0.89 PDPK1 (0.37) PDPK1HTR2AHRH1SLC6A2SLC6A4
SCHEMBL29603913 0.89 PDPK1 (0.37) PDPK1HTR2AHRH1SLC6A2SLC6A4
SCHEMBL10159867 0.81 MEN1 (0.37) PDPK1HTR2ASLC6A2SLC6A4SIGMAR1
SCHEMBL14449750 0.81 MAPT (0.33) PDPK1HTR2AHRH1SLC6A2SLC6A4
SCHEMBL2581679 0.79 PDPK1 (0.47) PDPK1HTR2AHRH1SLC6A2SLC6A4
SCHEMBL24388766 0.79 PDPK1 (0.47) PDPK1HTR2AHRH1SLC6A2SLC6A4
SCHEMBL16448778 0.76 SLC6A2 (0.43) PDPK1HTR2AHRH1SLC6A2SLC6A4
SCHEMBL17559137 0.75 PDPK1 (0.40) PDPK1HTR2AHRH1SLC6A2SLC6A4
SCHEMBL2583993 0.73 PDPK1 (0.53) PDPK1HTR2AHRH1SLC6A2SLC6A4

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
EP-4183783-A1 IMMUNOMODULATOR Hitgen Inc. (CN) 2023-05-24 EP disclosed