SCHEMBL8650258

SCHEMBL8650258

NCC1CCC(CN2CCCC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.62
ADRA2C P18825 1/20 0.62
NCF1 P14598 1/20 0.44
ACHE P22303 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
SCN1A P35498 1/20 0.38
SCN4A P35499 1/20 0.38
SCN7A Q01118 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
SCN11A Q9UI33 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
PLG P00747 1/20 0.37
PLAT P00750 1/20 0.37
LMNA P02545 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL8648014 1.00 CHRM5 (0.62) CHRM5ADRA2CNCF1ACHESMN1; SMN2
SCHEMBL9386207 0.98 CHRM5 (0.67) CHRM5ADRA2CNCF1ACHESMN1; SMN2
SCHEMBL23015324 0.88 NCF1 (0.52) CHRM5ADRA2CNCF1ACHECXCR4
SCHEMBL2225387 0.87
SCHEMBL2225393 0.87
Hydrochloric Acid SCHEMBL29653378 0.86 NCF1 (0.50) CHRM5ADRA2CNCF1ACHECXCR4
SCHEMBL3632436 0.85 CHRM5 (0.84) CHRM5ADRA2CACHESMN1; SMN2SCN1A
SCHEMBL1241238 0.85 CHRM5 (0.84) CHRM5ADRA2CACHESMN1; SMN2SCN1A
SCHEMBL4824721 0.85 CHRM5 (0.84) CHRM5ADRA2CACHESMN1; SMN2SCN1A
SCHEMBL19612775 0.85 CHRM5 (0.84) CHRM5ADRA2CACHESMN1; SMN2SCN1A

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
US-5714497-A EXHIBIT AFFINITY FOR BIOLOGICAL RECEPTORS OF NEUROPEPTIDE Y SANOFI (FR) 1998-02-03 US disclosed