SCHEMBL21290839

SCHEMBL21290839

CN(Cl)CC1OCCc2ccsc21

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 12/20 0.78
DRD2 P14416 2/20 0.61
HTR1A P08908 1/20 0.61
HTR7 P34969 1/20 0.61
KEAP1 Q14145 1/20 0.38
DRD3 P35462 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
SCHEMBL21290263 1.00 TAAR1 (0.78) TAAR1DRD2HTR1AHTR7KEAP1
SCHEMBL14903754 0.88 TAAR1 (1.00) TAAR1DRD2HTR1AHTR7KEAP1
SCHEMBL15679325 0.85 TAAR1 (0.78) TAAR1DRD2HTR1AHTR7KEAP1
SCHEMBL28945890 0.83 TAAR1 (0.74) TAAR1DRD2HTR1AHTR7KEAP1
SCHEMBL28945878 0.81 TAAR1 (0.71) TAAR1DRD2HTR1AHTR7KEAP1
SCHEMBL21282227 0.80 TAAR1 (0.71) TAAR1DRD2HTR1AHTR7KEAP1
SCHEMBL30487344 0.79 TAAR1 (0.67) TAAR1DRD2HTR1AHTR7KEAP1
SCHEMBL28945894 0.78 TAAR1 (0.66) TAAR1DRD2HTR1AHTR7KEAP1
SCHEMBL29140409 0.78 TAAR1 (0.66) TAAR1DRD2HTR1AHTR7KEAP1
SCHEMBL14903739 0.76 TAAR1 (1.00) TAAR1DRD2HTR1AHTR7KEAP1

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-2019161236-A1 METHODS OF TREATING SOCIAL FUNCTION DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-08-22 WO disclosed