SCHEMBL4780476

SCHEMBL4780476

NCC1(c2cccc(Br)c2)CCCC1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 14/20 0.63
SLC6A4 P31645 12/20 0.63
DPP4 P27487 1/20 0.61
SLC6A2 P23975 4/20 0.54
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
LMNA P02545 1/20 0.47

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
SCHEMBL29552558 1.00 SLC6A3 (0.63) SLC6A3SLC6A4DPP4SLC6A2MAOA
SCHEMBL4742182 0.98 SLC6A3 (0.66) SLC6A3SLC6A4DPP4SLC6A2MAOA
SCHEMBL4807847 0.96 SLC6A3 (0.58) SLC6A3SLC6A4DPP4SLC6A2MAOA
SCHEMBL4925293 0.93 MAOA (0.59) SLC6A3SLC6A4DPP4SLC6A2MAOA
SCHEMBL13344069 0.85 SLC6A4 (0.46) SLC6A3SLC6A4DPP4SLC6A2MAOA
SCHEMBL2225745 0.85 PRKACA (0.52) SLC6A3SLC6A4DPP4SLC6A2MAOA
Hydrochloric Acid SCHEMBL3493099 0.83 SLC6A4 (0.45) SLC6A3SLC6A4DPP4SLC6A2MAOA
SCHEMBL14004410 0.81 ALDH1A1 (0.48) SLC6A3SLC6A4SLC6A2
SCHEMBL27167132 0.81 SLC6A4 (0.41) SLC6A3SLC6A4DPP4SLC6A2MAOA
SCHEMBL30968661 0.79 SLC6A4 (0.42) SLC6A3SLC6A4DPP4SLC6A2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022109268-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2022-05-27 WO disclosed
WO-2008063114-A9 AMINO- IMIDAZOLONES AND THEIR USE AS MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2008-09-04 WO disclosed
WO-2008063114-A1 AMINO- IMIDAZOLONES AND THEIR USE AS MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2008-05-29 WO disclosed