SCHEMBL6782259

SCHEMBL6782259

CC(C)n1ccc2ccc(C3CCN(C)CC3)cc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.48
HTR1D P28221 2/20 0.44
ASAH1 Q13510 3/20 0.42
FAAH O00519 1/20 0.40
NAAA Q02083 1/20 0.40
TLR9 Q9NR96 3/20 0.40
TLR8 Q9NR97 3/20 0.40
TLR7 Q9NYK1 3/20 0.40
DRD2 P14416 1/20 0.39
SLC6A4 P31645 1/20 0.39
MAP4K1 Q92918 1/20 0.39
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
HTR6 P50406 3/20 0.37
LSS P48449 1/20 0.36
DRD3 P35462 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL6741343 0.84 SLC6A2 (0.48) HTR1DASAH1DRD2SLC6A4MAPK11
SCHEMBL6741065 0.78 HTR6 (0.53) HTR1DTLR9TLR8TLR7MAPK11
SCHEMBL6742251 0.74 HTR6 (0.52) DRD2HTR6
SCHEMBL7253016 0.73 HTR1D (0.76) QDPRHTR1DHTR6LSS
SCHEMBL6843375 0.73 QDPR (0.43) QDPRHTR1DASAH1FAAHNAAA
SCHEMBL14571688 0.73 QDPR (0.53) QDPRASAH1FAAHNAAATLR9
SCHEMBL6743107 0.72 MAPK11 (0.35) HTR1DSLC6A4MAPK11MAPK14
SCHEMBL17683262 0.72 HTR1D (0.49) QDPRHTR1DDRD2SLC6A4MAPK11
SCHEMBL28296478 0.71 QDPR (0.43) QDPRTLR9TLR8TLR7HTR6
SCHEMBL10268348 0.70 SLC6A4 (0.69) QDPRDRD2SLC6A4HTR6LSS

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
US-6716837-B1 INDOLE AND INDAZOLE COMPOUNDS NPS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 2004-04-06 US disclosed