SCHEMBL28089294

SCHEMBL28089294

COc1ccccc1CCCC(C)N

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.58
AOC3 Q16853 1/20 0.51
HTR2A P28223 1/20 0.49
IDO1 P14902 2/20 0.49
SIGMAR1 Q99720 1/20 0.47
MPO P05164 1/20 0.47
KMT2A Q03164 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA5A P35218 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL30520870 0.89 TAAR1 (0.61) TAAR1AOC3IDO1SIGMAR1KMT2A
SCHEMBL267933 0.89 TAAR1 (0.61) TAAR1AOC3IDO1SIGMAR1KMT2A
SCHEMBL19398947 0.86 TAAR1 (0.56) TAAR1AOC3IDO1SIGMAR1MPO
SCHEMBL7831226 0.81 TAAR1 (0.69) TAAR1AOC3IDO1SIGMAR1MPO
SCHEMBL9627286 0.80 TAAR1 (0.50) TAAR1AOC3SIGMAR1MPOCA12
SCHEMBL27755262 0.80 TAAR1 (0.50) TAAR1AOC3MPOCA12CA1
SCHEMBL11742522 0.79 TAAR1 (0.53) TAAR1AOC3SIGMAR1MPO
SCHEMBL5520311 0.79 TAAR1 (0.49) TAAR1AOC3IDO1SIGMAR1MPO
SCHEMBL14655700 0.78 KMT2A (0.64) TAAR1HTR2AIDO1KMT2A
SCHEMBL31689750 0.78 TAAR1 (0.78) TAAR1AOC3IDO1SIGMAR1MPO

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