SCHEMBL17658996

SCHEMBL17658996

c1ccc(COc2ccc(OCc3ccccc3)c(N3CCNCC3)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.72
SLC6A2 P23975 5/20 0.72
SLC6A4 P31645 5/20 0.72
SLC6A3 Q01959 3/20 0.72
HTR6 P50406 4/20 0.61
NTRK1 P04629 1/20 0.49
PRMT5 O14744 5/20 0.49
EGFR P00533 1/20 0.47
HRH3 Q9Y5N1 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
SCHEMBL17659748 0.90 SLC6A2 (0.56) HTR1ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL17659705 0.87 HTR1A (0.54) HTR1ASLC6A2SLC6A4SLC6A3HRH3
SCHEMBL17659018 0.86 HTR1A (0.52) HTR1ASLC6A2SLC6A4SLC6A3EGFR
SCHEMBL8251095 0.85 HTR1A (0.59) HTR1ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL17659698 0.85 HTR1A (0.51) HTR1ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL4673484 0.84 HTR1A (1.00) HTR1ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL17659126 0.84 HRH3 (0.59) HTR1ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL17659140 0.84 CCR5 (0.62) HTR1ASLC6A2SLC6A4SLC6A3PRMT5
SCHEMBL19381516 0.83 HTR1A (0.67) HTR1ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL8828488 0.83 HTR1A (0.64) HTR1ASLC6A2SLC6A4SLC6A3HTR6

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
WO-2016051799-A1 2-AMINOHYDROQUINONE DERIVATIVE AND TAU AGGREGATION INHIBITOR 学校法人同志社 2016-04-07 WO disclosed