SCHEMBL30733601

SCHEMBL30733601

CN(C)[C@@H]1OCCc2ccsc21

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 11/20 0.60
HTR1A P08908 1/20 0.53
DRD2 P14416 1/20 0.53
HTR7 P34969 1/20 0.53
KEAP1 Q14145 1/20 0.33
GRIN2B Q13224 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
SCHEMBL28511085 1.00 TAAR1 (0.60) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL28511084 1.00 TAAR1 (0.60) TAAR1HTR1ADRD2HTR7KEAP1
Hydrochloric Acid SCHEMBL29140413 0.98 TAAR1 (0.59) TAAR1HTR1ADRD2HTR7KEAP1
Hydrochloric Acid SCHEMBL28513760 0.98 TAAR1 (0.59) TAAR1HTR1ADRD2HTR7KEAP1
Hydrochloric Acid SCHEMBL28522435 0.98 TAAR1 (0.59) TAAR1HTR1ADRD2HTR7KEAP1
Hydrochloric Acid SCHEMBL30733605 0.98 TAAR1 (0.59) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL28517977 0.90 TAAR1 (0.51) TAAR1HTR1ADRD2HTR7
Cadaverine Tartrate SCHEMBL28523054 0.86 TAAR1 (0.48) TAAR1HTR1ADRD2HTR7
Tartaric Acid SCHEMBL30733603 0.86 TAAR1 (0.48) TAAR1HTR1ADRD2HTR7
Cadaverine Tartrate SCHEMBL30733604 0.86 TAAR1 (0.48) TAAR1HTR1ADRD2HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118406063-A Salt, crystal forms and preparation method thereof 赛诺维信制药公司 2024-07-30 CN disclosed
CN-112135827-B Salt, crystal forms and preparation method thereof 赛诺维信制药公司 2024-01-12 CN disclosed