SCHEMBL25973998

SCHEMBL25973998

NC(=O)C(CCNCCc1ccc2c(c1)CCO2)(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 5/20 0.55
CHRM1 P11229 5/20 0.55
CHRM4 P08173 3/20 0.55
CHRM3 P20309 3/20 0.55
DRD2 P14416 2/20 0.55
OPRM1 P35372 2/20 0.55
CHRM2 P08172 2/20 0.55
ADRB2 P07550 1/20 0.55
ADRB1 P08588 1/20 0.55
ADRA2A P08913 1/20 0.55
KCNE1 P15382 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
HRH2 P25021 1/20 0.55
HTR2A P28223 1/20 0.55
SLC6A4 P31645 1/20 0.55
ADRA1A P35348 1/20 0.55
OPRK1 P41145 1/20 0.55
HTR2B P41595 1/20 0.55
KCNQ1 P51787 1/20 0.55

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
SCHEMBL9426690 0.82 CHRM5 (0.54) CHRM5CHRM1CHRM4CHRM3DRD2
SCHEMBL9426486 0.81 CHRM5 (0.52) CHRM5CHRM1CHRM4CHRM3DRD2
SCHEMBL25973990 0.80 CHRM5 (0.52) CHRM5CHRM1CHRM4CHRM3DRD2
SCHEMBL22495318 0.75 POLB (0.55) CHRM5CHRM1CHRM4CHRM3DRD2
SCHEMBL4758040 0.74 CHRM5 (0.64) CHRM5CHRM1CHRM4CHRM3DRD2
SCHEMBL20563412 0.74 NPC1 (0.56) CHRM5CHRM1CHRM4CHRM3DRD2
SCHEMBL13652111 0.72 CHRM1 (0.44) CHRM5CHRM1CHRM4CHRM3DRD2
SCHEMBL3952933 0.71 CHRM5 (0.54) CHRM5CHRM1CHRM4CHRM3DRD2
SCHEMBL9426611 0.71 HTR2A (0.42) CHRM5CHRM1CHRM4CHRM3DRD2
Bromide SCHEMBL3950871 0.71 CHRM5 (0.53) CHRM5CHRM1CHRM4CHRM3DRD2

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-2023141721-A1 ANTICHOLINERGIC COMPOUNDS FOR USE IN TREATING NEUROMUSCULAR DISORDERS UNIVERSITY OF MONTRÉAL (CA) 2023-08-03 WO disclosed