SCHEMBL18668317

SCHEMBL18668317

Cc1nc2c(N3CCNCC3)nccc2n1S(=O)(=O)c1cccc(F)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.78
HTR1A P08908 6/20 0.78
DRD2 P14416 6/20 0.78
HTR7 P34969 6/20 0.78
CYP1A2 P05177 1/20 0.48
ADRB1 P08588 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADRA2A P08913 1/20 0.48
CHRM1 P11229 1/20 0.48
ADRA2B P18089 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR1B P28222 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
CYP2C19 P33261 1/20 0.48
HRH1 P35367 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR2B P41595 1/20 0.48

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
SCHEMBL18668292 0.87 HTR6 (1.00) HTR6HTR1ADRD2HTR7CYP1A2
SCHEMBL18668321 0.87 HTR6 (0.78) HTR6HTR1ADRD2HTR7
SCHEMBL1249588 0.86 HTR6 (0.78) HTR6HTR1ADRD2HTR7CYP1A2
SCHEMBL18668316 0.78 HTR6 (0.81) HTR6HTR1ADRD2HTR7HTR2A
SCHEMBL18668313 0.76 HTR6 (0.79) HTR6HTR1ADRD2HTR7CYP1A2
SCHEMBL1248660 0.76 HTR6 (0.60) HTR6HTR1ADRD2HTR7HTR2A
SCHEMBL1248534 0.75 HTR6 (0.82) HTR6HTR1ADRD2HTR7HTR2C
SCHEMBL1249738 0.75 HTR6 (0.82) HTR6HTR1ADRD2HTR7HTR2A
SCHEMBL18668326 0.74 HTR6 (1.00) HTR6HTR1ADRD2HTR7HTR2A
SCHEMBL18668335 0.74 HTR6 (1.00) HTR6HTR1ADRD2HTR7

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
WO-2017052394-A1 IMIDAZOPYRIDINE COMPOUNDS AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS Uniwersytet Jagielloński (PL) 2017-03-30 WO claimed
WO-2017052394-A1 IMIDAZOPYRIDINE COMPOUNDS AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS Uniwersytet Jagielloński (PL) 2017-03-30 WO disclosed