SCHEMBL3976997

SCHEMBL3976997

O=C1CC(CNc2cccc3cc(S(=O)(=O)c4ccccc4)cnc23)CCO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.45
HTR2A P28223 4/20 0.45
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
HTR7 P34969 1/20 0.45
SLC40A1 Q9NP59 4/20 0.39
HTR2B P41595 1/20 0.36
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
KDM4C Q9H3R0 2/20 0.34
FFAR2 O15552 2/20 0.34
KCNH3 Q9ULD8 1/20 0.34
GLO1 Q04760 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
G6PD P11413 1/20 0.33
NFKBIA P25963 1/20 0.33
AGTR1 P30556 1/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33

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
SCHEMBL3980960 0.92 HTR6 (0.37) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3979528 0.91 HTR6 (0.43) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3908444 0.89 HTR6 (0.46) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3914009 0.81 KCNH3 (0.40) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3910472 0.81 HTR2A (0.44) HTR6HTR2AHTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL3911171 0.80 HTR2A (0.44) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3918087 0.80 PIM1 (0.40) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL14022904 0.80 ALDH1A1 (0.42) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3918840 0.73 ALDH1A1 (0.48) HTR6HTR2AHTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL3912958 0.72 ALDH1A1 (0.48) HTR6HTR2AHTR1ADRD2HTR7

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