SCHEMBL4298270

SCHEMBL4298270

CCCCN(CCCC)c1ccc2cc(C=Cc3cc[n+](CCCS(=O)(=O)O)cc3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.52
CHRM4 P08173 2/20 0.52
CHRM5 P08912 2/20 0.52
CHRM1 P11229 2/20 0.52
CHRM3 P20309 2/20 0.52
APP P05067 3/20 0.50
KDM4A O75164 3/20 0.46
KDM2A Q9Y2K7 3/20 0.46
INSR P06213 1/20 0.38
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
MAPK1 P28482 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
THRB P10828 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
ATG4B Q9Y4P1 1/20 0.36

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
SCHEMBL83585 1.00 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
Water SCHEMBL22655270 0.99 CHRM2 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
Water SCHEMBL22655271 0.99 CHRM2 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18493455 0.96 KDM4A (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18493454 0.96 KDM4A (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL26644133 0.90 CHRM2 (0.62) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL29860214 0.90 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18796804 0.90 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18796805 0.90 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
Water SCHEMBL7040807 0.89 CHRM2 (0.61) CHRM2CHRM4CHRM5CHRM1CHRM3

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-20090227469-A1 CELLS AND ASSAYS FOR USE IN DETECTING LONG QT SYNDROME THE J. DAVID GLADSTONE INSTITUTES 2009-09-10 US disclosed
WO-2006037226-A1 USE OF QUANTUM DOTS FOR BIOLOGICAL LABELS AND SENSORS MCGILL UNIVERSITY (CA) 2006-04-13 WO disclosed