SCHEMBL8705108

SCHEMBL8705108

COc1ccccc1CN(C)CCO

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.71
BCHE P06276 5/20 0.58
ACHE P22303 4/20 0.58
CHRM1 P11229 1/20 0.58
MAOB P27338 4/20 0.57
APP P05067 3/20 0.55
AOC3 Q16853 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49

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
SCHEMBL19101439 0.84 CHRM2 (0.73) CHRM2BCHEACHECHRM1MAOB
SCHEMBL7416019 0.83 CHRM2 (0.71) CHRM2BCHEACHECHRM1MAOB
SCHEMBL19080598 0.81 CHRM2 (0.72) CHRM2BCHEACHECHRM1MAOB
SCHEMBL4514454 0.80 CHRM2 (0.67) CHRM2BCHEACHECHRM1MAOB
SCHEMBL27871240 0.80 ACHE (0.65) BCHEACHEMAOBAPP
SCHEMBL19091136 0.80 CHRM2 (0.70) CHRM2BCHEACHECHRM1MAOB
SCHEMBL7960394 0.79 CHRM2 (0.45) CHRM2BCHEACHECHRM1APP
Hydrochloric Acid SCHEMBL7597748 0.78 CHRM2 (0.44) CHRM2BCHEACHECHRM1APP
SCHEMBL13706633 0.78 CHRM2 (0.82) CHRM2BCHEACHECHRM1MAOB
SCHEMBL735118 0.77 SLC6A4 (0.68) CHRM2CHRM1AOC3MEN1KMT2A

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-5736568-A ANTIALLERGENS; IMMUNOMODULANTS KNOLL AKTIENGESELLSCHAFT (DE) 1998-04-07 US disclosed