SCHEMBL23267643

SCHEMBL23267643

CN1CCC(OC2CCN(C)C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.41
CHRM1 P11229 2/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM3 P20309 1/20 0.39
HRH3 Q9Y5N1 2/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL12347298 0.91 SMN1; SMN2 (0.45) CHRM1CHRM4CHRM5CHRM3CHRM2
SCHEMBL23603456 0.90 HRH3 (0.37) NCF1CHRM1CHRM4CHRM5CHRM3
SCHEMBL12049732 0.89 HRH3 (0.42) NCF1CHRM1CHRM4CHRM5CHRM3
SCHEMBL13162611 0.87 HRH3 (0.41) NCF1CHRM1CHRM4CHRM5CHRM3
SCHEMBL1934995 0.85 CHRM4 (0.34) NCF1CHRM1CHRM4CHRM5CHRM3
Hydrochloric Acid SCHEMBL1935604 0.83 CHRM4 (0.33) CHRM1CHRM4CHRM5CHRM3MAPK1
SCHEMBL29303972 0.83 CHRM3 (0.33) CHRM1CHRM4CHRM5CHRM3CHRM2
SCHEMBL29304327 0.83 CHRM3 (0.33) CHRM1CHRM4CHRM5CHRM3CHRM2
SCHEMBL22597886 0.82 HRH3 (0.38) NCF1CHRM1CHRM4CHRM5CHRM3
SCHEMBL1936071 0.80 CHRM3 (0.44) CHRM1CHRM4CHRM5CHRM3CYP2D6

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-2021077010-A1 BIFUNCTIONAL MOLECULES CONTAINING AN E3 UBIQUITINE LIGASE BINDING MOIETY LINKED TO A BCL6 TARGETING MOIETY ARVINAS OPERATIONS, INC. (US) 2021-04-22 WO disclosed