SCHEMBL23181764

SCHEMBL23181764

CC1CC2NCCOC2CN1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL23970809 0.84 SLC6A2 (0.31) SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL24851102 0.84 SLC6A2 (0.31) SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL26000644 0.75
SCHEMBL31664985 0.75
SCHEMBL15934225 0.75
SCHEMBL24098322 0.75 L3MBTL1 (0.40) SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL23181763 0.74 PNMT (0.35)
Hydrochloric Acid SCHEMBL18226410 0.73
SCHEMBL17308230 0.72 L3MBTL1 (0.52) SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL9413931 0.70

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-2021057970-A1 RET INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 广东东阳光药业有限公司 2021-04-01 WO disclosed