SCHEMBL23519981

SCHEMBL23519981

C1CCC(CN2CC3CCCC3C2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.56
ADRA2C P18825 1/20 0.56
ACHE P22303 1/20 0.48
SCN1A P35498 1/20 0.47
SCN4A P35499 1/20 0.47
SCN7A Q01118 1/20 0.47
KCNH2 Q12809 1/20 0.47
SCN5A Q14524 1/20 0.47
SCN9A Q15858 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
SCN11A Q9UI33 1/20 0.47
SCN8A Q9UQD0 1/20 0.47
SCN10A Q9Y5Y9 1/20 0.47
SIGMAR1 Q99720 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
GBA1 P04062 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL20936966 1.00 CHRM5 (0.56) CHRM5ADRA2CACHESCN1ASCN4A
SCHEMBL20936956 1.00 CHRM5 (0.56) CHRM5ADRA2CACHESCN1ASCN4A
SCHEMBL20343398 0.90 SCN1A (0.56) CHRM5ADRA2CACHESCN1ASCN4A
SCHEMBL21235438 0.86 CHRM5 (0.56) CHRM5ADRA2CACHESCN1ASCN4A
SCHEMBL21003358 0.83 CHRM5 (0.46) CHRM5ADRA2CACHESCN1ASCN4A
SCHEMBL23520071 0.80 GBA1 (0.49) CHRM5ADRA2CACHESCN1ASCN4A
SCHEMBL23519988 0.80 GBA1 (0.49) CHRM5ADRA2CACHESCN1ASCN4A
SCHEMBL23520060 0.80 GBA1 (0.50) CHRM5ADRA2CACHESCN1ASCN4A
SCHEMBL20936752 0.80 GBA1 (0.49) CHRM5ADRA2CACHESCN1ASCN4A
SCHEMBL20936841 0.80 GBA1 (0.49) CHRM5ADRA2CACHESCN1ASCN4A

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-2021119254-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2021-06-17 WO disclosed