SCHEMBL9259031

SCHEMBL9259031

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.59
BCHE P06276 4/20 0.59
MAOB P27338 2/20 0.59
FAAH O00519 1/20 0.59
ABCC4 O15439 1/20 0.59
CACNA1F O60840 1/20 0.59
PDE5A O76074 1/20 0.59
ABCB11 O95342 1/20 0.59
APP P05067 1/20 0.59
CHRM2 P08172 1/20 0.59
ABCB1 P08183 1/20 0.59
CYP3A4 P08684 1/20 0.59
CHRM5 P08912 1/20 0.59
ADRA2A P08913 1/20 0.59
CHRM1 P11229 1/20 0.59
ADRA2C P18825 1/20 0.59
DRD4 P21917 1/20 0.59
SLC6A2 P23975 1/20 0.59
AGTR1 P30556 1/20 0.59
ADRA1A P35348 1/20 0.59

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
SCHEMBL9264663 0.89 BCHE (0.53) ACHEBCHEMAOBFAAHABCC4
SCHEMBL9263102 0.88 BCHE (0.58) ACHEBCHEMAOBFAAHABCC4
SCHEMBL9263613 0.87 BCHE (0.64) ACHEBCHEMAOBFAAHABCC4
SCHEMBL6379722 0.83 BCHE (0.72) ACHEBCHEMAOBFAAHABCC4
SCHEMBL9261356 0.83 ACHE (0.55) ACHEBCHEMAOBFAAHABCC4
SCHEMBL9260604 0.82 ACHE (0.56) ACHEBCHEMAOBFAAHABCC4
SCHEMBL9261129 0.82 ACHE (0.55) ACHEBCHEMAOBFAAHABCC4
SCHEMBL9263163 0.80 BCHE (0.52) ACHEBCHEMAOBFAAHABCC4
SCHEMBL9262887 0.79 ACHE (0.48) ACHEBCHEMAOBFAAHABCC4
SCHEMBL9259960 0.77 BCHE (0.48) ACHEBCHEMAOBFAAHABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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