SCHEMBL9264663

SCHEMBL9264663

COc1cccc2c3c([nH]c12)C(=S)C(CC1CCN(Cc2ccccc2)CC1)C3

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.53
ACHE P22303 6/20 0.50
MAOB P27338 2/20 0.49
BACE1 P56817 2/20 0.49
MAOA P21397 1/20 0.49
FAAH O00519 1/20 0.49
ABCC4 O15439 1/20 0.49
CACNA1F O60840 1/20 0.49
PDE5A O76074 1/20 0.49
ABCB11 O95342 1/20 0.49
APP P05067 1/20 0.49
CHRM2 P08172 1/20 0.49
ABCB1 P08183 1/20 0.49
CYP3A4 P08684 1/20 0.49
CHRM5 P08912 1/20 0.49
ADRA2A P08913 1/20 0.49
CHRM1 P11229 1/20 0.49
ADRA2C P18825 1/20 0.49
DRD4 P21917 1/20 0.49
SLC6A2 P23975 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
SCHEMBL9259031 0.89 ACHE (0.59) BCHEACHEMAOBBACE1MAOA
SCHEMBL9255264 0.88 BCHE (0.50) BCHEACHEMAOBBACE1FAAH
SCHEMBL9264044 0.82 ACHE (0.51) BCHEACHEMAOBBACE1MAOA
SCHEMBL9260674 0.82 ACHE (0.53) BCHEACHEMAOBMAOA
SCHEMBL9255390 0.80 BCHE (0.43) BCHEACHEMAOBBACE1FAAH
SCHEMBL9255338 0.77 ACHE (0.49) BCHEACHEMAOBMAOA
SCHEMBL9258648 0.77 ACHE (0.46) BCHEACHEMAOBMAOA
SCHEMBL9263102 0.77 BCHE (0.58) BCHEACHEMAOBBACE1FAAH
SCHEMBL9263613 0.76 BCHE (0.64) BCHEACHEMAOBBACE1FAAH
SCHEMBL6379722 0.75 BCHE (0.72) BCHEACHEMAOBBACE1FAAH

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5428043-A Tricyclic-cyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1995-06-27 US claimed
EP-0441517-A2 Tricyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1991-08-14 EP claimed
US-5428043-A Tricyclic-cyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1995-06-27 US disclosed
EP-0441517-A2 Tricyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1991-08-14 EP disclosed