SCHEMBL21140586

SCHEMBL21140586

CN(C)C1CNc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.39
SLC6A4 P31645 5/20 0.39
GPR3 P46089 1/20 0.38
SLC6A3 Q01959 2/20 0.36

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
SCHEMBL23954374 0.81 GAA (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL4684968 0.78 CHRNB2 (0.41) SLC6A2SLC6A4
SCHEMBL21187169 0.74 PARP3 (0.49) SLC6A2SLC6A4GPR3SLC6A3
SCHEMBL13372443 0.72 HTR2C (0.46)
SCHEMBL548964 0.72 HTR2C (0.46)
SCHEMBL18883053 0.72 HTR2C (0.46)
SCHEMBL5749290 0.72 HTR2C (0.46)
SCHEMBL1031433 0.72 HTR2A (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL30417082 0.72 CHRNB4 (0.39) SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL13387451 0.71 HTR2C (0.44)

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-3502120-A1 PANAXDIOL-TYPE GINSENOSIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Army Medical University (CN) 2019-06-26 EP disclosed