SCHEMBL7699484

SCHEMBL7699484

CNC1CC1c1cccc2c1CCO2

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 3/20 0.54
SLC9A1 P19634 7/20 0.49
SLC9A5 Q14940 1/20 0.41
SLC9A2 Q9UBY0 1/20 0.41
DRD2 P14416 7/20 0.37
HTR2A P28223 7/20 0.37
DRD3 P35462 7/20 0.37
SLC6A4 P31645 1/20 0.37
MTNR1A P48039 2/20 0.37
KIF11 P52732 1/20 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
SCHEMBL28140958 1.00 MTNR1B (0.54) MTNR1BSLC9A1SLC9A5SLC9A2DRD2
SCHEMBL7697047 1.00 MTNR1B (0.54) MTNR1BSLC9A1SLC9A5SLC9A2DRD2
SCHEMBL27871504 0.81 MTNR1B (0.51) MTNR1BSLC9A1SLC9A5SLC9A2DRD2
SCHEMBL8489075 0.81 MTNR1B (0.56) MTNR1BSLC9A1SLC9A5SLC9A2DRD2
SCHEMBL8486710 0.80 KDM1A (0.41) MTNR1BDRD2MTNR1A
SCHEMBL8486713 0.80 KDM1A (0.41) MTNR1BDRD2MTNR1A
SCHEMBL8489071 0.78 SLC9A1 (0.53) MTNR1BSLC9A1SLC9A5SLC9A2DRD2
SCHEMBL9926870 0.77 MTNR1B (0.66) MTNR1BSLC9A1SLC9A5SLC9A2DRD2
Methylamine SCHEMBL22076722 0.77 SLC9A1 (0.53) MTNR1BSLC9A1SLC9A5SLC9A2HTR2A
SCHEMBL19226925 0.77 MTNR1B (0.66) MTNR1BSLC9A1SLC9A5SLC9A2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106543119-B Preparation method of optically pure tasimelteon 浙江工业大学 2019-07-26 CN claimed
CN-106543119-A Preparation method of optically pure tasimelteon 浙江工业大学 2017-03-29 CN claimed
CN-106543119-B Preparation method of optically pure tasimelteon 浙江工业大学 2019-07-26 CN disclosed
CN-106543119-A Preparation method of optically pure tasimelteon 浙江工业大学 2017-03-29 CN disclosed
EP-1082115-A4 HETEROCYCLIC CIS CYCLOPROPANE DERIVATIVES AS MELATONERGIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2002-10-24 EP disclosed
US-6214869-B1 SLEEP DISORDERS BRISTOL-MYERS SQUIBB 2001-04-10 US disclosed
EP-1082115-A1 HETEROCYCLIC CIS CYCLOPROPANE DERIVATIVES AS MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-03-14 EP disclosed
WO-1999062515-A1 HETEROCYCLIC CIS CYCLOPROPANE DERIVATIVES AS MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-12-09 WO disclosed