SCHEMBL30818447

SCHEMBL30818447

COc1ccc(F)cc1C[C@@](O)(C1COCN1)[C@@H]1CNCCO1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 17/20 0.70
SLC6A4 P31645 7/20 0.39
SLC6A3 Q01959 4/20 0.39
HRH1 P35367 2/20 0.39
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
ADRA2C P18825 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
SCHEMBL29221485 1.00 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3HRH1CCNT1
SCHEMBL29221482 1.00 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3HRH1CCNT1
Edivoxetine SCHEMBL13176435 0.84 SLC6A2 (0.89) SLC6A2SLC6A4SLC6A3HRH1CCNT1
Edivoxetine SCHEMBL14072285 0.84 SLC6A2 (0.89) SLC6A2SLC6A4SLC6A3HRH1CCNT1
Edivoxetine SCHEMBL17662033 0.84 SLC6A2 (0.89) SLC6A2SLC6A4SLC6A3HRH1CCNT1
Edivoxetine SCHEMBL2907186 0.84 SLC6A2 (0.89) SLC6A2SLC6A4SLC6A3HRH1CCNT1
Edivoxetine SCHEMBL2904573 0.83 SLC6A2 (0.87) SLC6A2SLC6A4SLC6A3HRH1CCNT1
SCHEMBL2909340 0.82 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3HRH1CCNT1
Hydrochloric Acid SCHEMBL2907982 0.82 SLC6A2 (0.98) SLC6A2SLC6A4SLC6A3HRH1CCNT1
SCHEMBL2908699 0.79 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3HRH1CCNT1

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
CN-117615764-A Norepinephrine reuptake inhibitors for the treatment of sleep apnea 爱普宁公司(特拉华) 2024-02-27 CN disclosed