SCHEMBL23110445

SCHEMBL23110445

CN1CCCC(COCN)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
NCF1 P14598 1/20 0.38
CHRM2 P08172 3/20 0.37
CHRM1 P11229 3/20 0.37
CHRM3 P20309 2/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
ADRA2A P08913 2/20 0.36
DRD1 P21728 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
ADRA1A P35348 2/20 0.36
OPRM1 P35372 2/20 0.36
DRD3 P35462 2/20 0.36
KCNH2 Q12809 2/20 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
SCHEMBL12886549 0.82 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4CHRM2
SCHEMBL12287934 0.82 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4CHRM2
SCHEMBL12886548 0.82 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4CHRM2
SCHEMBL12886557 0.79 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4CHRM2
SCHEMBL12886555 0.79 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4CHRM2
SCHEMBL96929 0.79 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4CHRM2
SCHEMBL19959093 0.78 SMN1; SMN2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4CHRM2
SCHEMBL20711158 0.78 SMN1; SMN2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4CHRM2
SCHEMBL19966241 0.78 NCF1 (0.58) NCF1CHRM2CHRM1CHRM3MAOA
SCHEMBL1010140 0.77

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-2021050913-A1 INHIBITORS OF SARM1 DISARM THERAPEUTICS, INC. (US) 2021-03-18 WO disclosed