SCHEMBL28945858

SCHEMBL28945858

[CH2][C@@H]1OCCc2ccsc21

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 10/20 0.57
HTR1A P08908 1/20 0.53
DRD2 P14416 1/20 0.53
HTR7 P34969 1/20 0.53
KEAP1 Q14145 1/20 0.35

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
SCHEMBL14906850 0.77 TAAR1 (0.57) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL18723730 0.77 TAAR1 (0.57) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL20964261 0.77 TAAR1 (0.57) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL28511085 0.73 TAAR1 (0.60) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL12644088 0.73 TAAR1 (1.00) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL14903739 0.73 TAAR1 (1.00) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL28515741 0.73 TAAR1 (0.60) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL21282227 0.73 TAAR1 (0.71) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL14903730 0.73 TAAR1 (1.00) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL28945875 0.73 TAAR1 (0.77) TAAR1HTR1ADRD2HTR7KEAP1

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-115677718-A Methylmethylamine derivative preparation, pharmaceutical composition and application thereof 武汉思瓴生物科技有限公司 2023-02-03 CN claimed
CN-115677718-A Methylmethylamine derivative preparation, pharmaceutical composition and application thereof 武汉思瓴生物科技有限公司 2023-02-03 CN disclosed