SCHEMBL3980960

SCHEMBL3980960

O=C1CC(CNc2cccc3cc(S(=O)(=O)c4ccc(Cl)cc4)cnc23)CCO1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.37
HTR2A P28223 4/20 0.37
HTR7 P34969 2/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
SLC40A1 Q9NP59 4/20 0.36
PIM1 P11309 2/20 0.33
PIM2 Q9P1W9 2/20 0.33
PIM3 Q86V86 1/20 0.33
HTR2B P41595 1/20 0.33
KDR P35968 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GLO1 Q04760 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
P2RX3 P56373 1/20 0.32
PRKCQ Q04759 1/20 0.32
IDH1 O75874 1/20 0.32

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
SCHEMBL3976997 0.92 HTR6 (0.45) HTR6HTR2AHTR7HTR1ADRD2
SCHEMBL3918087 0.90 PIM1 (0.40) HTR6HTR2AHTR7HTR1ADRD2
SCHEMBL3979528 0.83 HTR6 (0.43) HTR6HTR2AHTR7HTR1ADRD2
SCHEMBL3914009 0.81 KCNH3 (0.40) HTR6HTR2AHTR7HTR1ADRD2
SCHEMBL3908444 0.81 HTR6 (0.46) HTR6HTR2AHTR7HTR1ADRD2
SCHEMBL14022904 0.80 ALDH1A1 (0.42) HTR6HTR2AHTR7HTR1ADRD2
SCHEMBL3910472 0.73 HTR2A (0.44) HTR6HTR2AHTR7HTR1ADRD2
Hydrochloric Acid SCHEMBL3911171 0.72 HTR2A (0.44) HTR6HTR2AHTR7HTR1ADRD2
SCHEMBL2195248 0.68 PDE10A (0.49) HTR6HTR2AHTR7HTR1ADRD2
SCHEMBL3909234 0.67 GRM5 (0.51) HTR6HTR2AHTR7HTR1ADRD2

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
EP-1928833-B1 NOVEL QUINOLINE COMPOUNDS CAPABLE OF BINDING AT THE CB2 RECEPTOR GLAXO GROUP LTD (GB) 2009-02-18 EP claimed