SCHEMBL10692922

SCHEMBL10692922

CCNCCCOc1c2ccccc2cc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 5/20 0.56
SLC2A1 P11166 2/20 0.46
SLC6A4 P31645 2/20 0.43
HRH1 P35367 1/20 0.43
ADRB2 P07550 1/20 0.42
KMT2A Q03164 1/20 0.41
SCN8A Q9UQD0 1/20 0.41
HTR1D P28221 1/20 0.41
NR2E1 Q9Y466 1/20 0.40
ABCB1 P08183 1/20 0.40
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 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
SCHEMBL10692155 0.94 SLC2A1 (0.50) HTR1BSLC2A1SLC6A4HRH1ADRB2
SCHEMBL10693568 0.83 HTR1B (0.47) HTR1BSLC2A1SLC6A4SCN8ACYP1A2
SCHEMBL293401 0.81 SLC2A1 (0.48) HTR1BSLC2A1HTR1DCYP1A2CYP2D6
SCHEMBL29368652 0.81 SLC2A1 (0.48) HTR1BSLC2A1HTR1DCYP1A2CYP2D6
SCHEMBL23089937 0.80 TLR8 (0.46) HTR1BSLC2A1CYP1A2CYP2D6
SCHEMBL29368699 0.80 TLR8 (0.46) HTR1BSLC2A1CYP1A2CYP2D6
SCHEMBL29371827 0.79 TLR8 (0.44) HTR1BSLC2A1KMT2AHTR1DCYP1A2
SCHEMBL7966951 0.79 TLR8 (0.44) HTR1BSLC2A1KMT2AHTR1DCYP1A2
SCHEMBL7877916 0.78 GPR84 (0.47) HTR1BKMT2ACYP1A2MAPK1CYP2C19
SCHEMBL23089944 0.78 TLR8 (0.48) HTR1BSLC2A1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4792551-A 9-anthryloxyaminoalkanes and related compounds as anti-inflammatory and analgetic agents SYNTEX (U.S.A.) INC. (US) 1988-12-20 US disclosed
EP-0132351-A2 9-Anthryloxyaminoalkanes and related compounds, processes for their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1985-01-30 EP disclosed