SCHEMBL28089222

SCHEMBL28089222

NCCCCc1ccccc1Br

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.72
MAOA P21397 1/20 0.50
IDO1 P14902 2/20 0.47
HRH1 P35367 1/20 0.41
MPO P05164 1/20 0.39
SLC6A4 P31645 1/20 0.39
GPR52 Q9Y2T5 1/20 0.38

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
SCHEMBL1458748 0.93 TAAR1 (0.75) TAAR1MAOAIDO1GPR52
SCHEMBL29423333 0.84 TAAR1 (1.00) TAAR1IDO1HRH1MPOGPR52
SCHEMBL265615 0.84 TAAR1 (1.00) TAAR1IDO1HRH1MPOGPR52
SCHEMBL3680377 0.84 MAOA (0.61) TAAR1MAOAHRH1MPOSLC6A4
SCHEMBL5040860 0.83 TAAR1 (0.59) TAAR1IDO1GPR52
SCHEMBL9175222 0.83 TAAR1 (0.59) TAAR1IDO1GPR52
Bromide SCHEMBL31622102 0.82 TAAR1 (0.95) TAAR1IDO1HRH1MPOGPR52
Iodide SCHEMBL28685278 0.82 TAAR1 (0.95) TAAR1IDO1HRH1MPOGPR52
Hydrochloric Acid SCHEMBL533785 0.82 TAAR1 (0.95) TAAR1IDO1HRH1MPOGPR52
SCHEMBL8071390 0.80 TAAR1 (0.56) TAAR1IDO1GPR52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109745313-A The D3 dopamine-receptor stimulant for treating dyskinesia in Parkinson's disease 德雷克塞尔大学 2019-05-14 CN claimed
CN-105848655-B For attention and cognitive disorder and for dementia associated with neurodegeneration obstacle new treatment 德雷克塞尔大学 2019-11-08 CN disclosed
CN-109745313-A The D3 dopamine-receptor stimulant for treating dyskinesia in Parkinson's disease 德雷克塞尔大学 2019-05-14 CN disclosed
CN-103347517-B Treatment of dyskinesia in Parkinson's disease D3Dopamine receptor agonists 德雷克塞尔大学 2018-10-02 CN disclosed
CN-105848655-A Novel treatments for attention and cognitive disorders, and for dementia associated with a neurodegenerative disorder 德雷克塞尔大学 2016-08-10 CN disclosed