SCHEMBL6920928

SCHEMBL6920928

NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.58
HCRTR2 O43614 1/20 0.58
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
LMNA P02545 1/20 0.54
CNR1 P21554 8/20 0.54
HTR7 P34969 5/20 0.54
HTR1D P28221 3/20 0.54
HTR2B P41595 3/20 0.54
HTR1A P08908 2/20 0.54
DRD2 P14416 2/20 0.54
DRD3 P35462 2/20 0.54
CCR4 P51679 1/20 0.53
EPHX2 P34913 1/20 0.51
HTR1B P28222 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
ADRA1B P35368 1/20 0.49
HTT P42858 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
SCHEMBL1398899 0.92 HCRTR1 (0.55) HCRTR1HCRTR2MEN1KMT2ALMNA
SCHEMBL2706418 0.84 HCRTR1 (0.64) HCRTR1HCRTR2MEN1KMT2ALMNA
SCHEMBL2705837 0.84 HCRTR1 (0.64) HCRTR1HCRTR2MEN1KMT2ALMNA
SCHEMBL6920929 0.80 HTR7 (0.65) HCRTR1HCRTR2MEN1KMT2ALMNA
SCHEMBL8718942 0.78 LMNA (0.58) LMNAHTT
SCHEMBL6964528 0.78 HTR7 (0.69) HCRTR1HCRTR2MEN1KMT2ACNR1
SCHEMBL14530359 0.77 HSD11B1 (0.52) HCRTR1HCRTR2LMNA
SCHEMBL3974715 0.76 EPHX2 (0.65) MEN1KMT2ALMNACNR1EPHX2
SCHEMBL699980 0.76 HTR7 (0.63) HCRTR1HCRTR2MEN1KMT2ALMNA
SCHEMBL4964697 0.75 CNR1 (0.61) MEN1KMT2ACNR1EPHX2

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-2004041807-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-05-21 WO disclosed