SCHEMBL9320458

SCHEMBL9320458

CCC(N)N(C)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
HTR2A P28223 1/20 0.53
ADRA1A P35348 1/20 0.53
OPRK1 P41145 1/20 0.53
KCNH2 Q12809 1/20 0.53
AOC3 Q16853 2/20 0.52
TSHR P16473 4/20 0.50
ALDH1A1 P00352 1/20 0.50
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
PRMT8 Q9NR22 1/20 0.46
TAAR1 Q96RJ0 3/20 0.42
MAOA P21397 2/20 0.42
SIGMAR1 Q99720 1/20 0.42
CYP2A6 P11509 1/20 0.42
ADORA2A P29274 1/20 0.42

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
SCHEMBL3061994 0.85 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3ADRA2BADRA2C
SCHEMBL3203375 0.82 AOC3 (0.48) SLC6A2SLC6A4SLC6A3ADRA2BADRA2C
SCHEMBL6267693 0.81 CARM1 (0.52) SLC6A2SLC6A4SLC6A3ADRA2BADRA2C
SCHEMBL16327199 0.79 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3ADRA2BADRA2C
SCHEMBL15146911 0.79 ADRA2B (0.57) SLC6A2SLC6A4SLC6A3ADRA2BADRA2C
SCHEMBL1088447 0.79 ADRA2B (0.57) SLC6A2SLC6A4SLC6A3ADRA2BADRA2C
SCHEMBL27704211 0.78 TSHR (0.46) SLC6A2SLC6A4SLC6A3ADRA2BADRA2C
SCHEMBL15003030 0.78 ADRA2B (0.71) SLC6A2SLC6A4SLC6A3ADRA2BADRA2C
SCHEMBL22679007 0.77 ADRA2B (0.50) SLC6A2SLC6A4SLC6A3ADRA2BADRA2C
SCHEMBL11322173 0.77 TSHR (0.48) SLC6A2SLC6A4SLC6A3ADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154934-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND THEIR USE IN TREATING NEURODEGENERATIVE DISEASES Université de Lille 2 Droit et Santé (FR) 2017-04-19 EP disclosed
WO-2015193255-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND THEIR USE IN TREATING NEURODEGENERATIVE DISEASES UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2015-12-23 WO disclosed
EP-0402266-B1 N-substituted lauramides, their preparation and compositions containing them SANOFI ELF (FR) 1994-02-02 EP disclosed
EP-0402266-A2 N-substituted lauramides, their preparation and compositions containing them ELF SANOFI (FR) 1990-12-12 EP disclosed