SCHEMBL9256312

SCHEMBL9256312

O=C1C(CC2CCN(Cc3ccccc3)CC2)Cc2cc3ccc(F)cc3n21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
FAAH O00519 1/20 0.45
ABCC4 O15439 1/20 0.45
CACNA1F O60840 1/20 0.45
PDE5A O76074 1/20 0.45
ABCB11 O95342 1/20 0.45
APP P05067 1/20 0.45
CHRM2 P08172 1/20 0.45
ABCB1 P08183 1/20 0.45
CYP3A4 P08684 1/20 0.45
CHRM5 P08912 1/20 0.45
ADRA2A P08913 1/20 0.45
CHRM1 P11229 1/20 0.45
ADRA2C P18825 1/20 0.45
DRD4 P21917 1/20 0.45
SLC6A2 P23975 1/20 0.45
MAOB P27338 1/20 0.45
AGTR1 P30556 1/20 0.45
ADRA1A P35348 1/20 0.45

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
SCHEMBL9264959 0.89 BCHE (0.48) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL9259210 0.88 BCHE (0.45) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL9265539 0.82 ACHE (0.44) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL9257639 0.82 BCHE (0.60) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL9281852 0.78 BCHE (0.41) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL9253215 0.73 ACHE (0.47) ACHEHTR2BBACE1SIGMAR1
SCHEMBL4491722 0.73 ACHE (0.45) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL9256301 0.72 HTR2B (0.45) BCHEACHEFAAHABCC4CACNA1F
Hydrochloric Acid SCHEMBL7286101 0.69 OPRM1 (0.56) CHRM2CYP3A4CHRM1DRD4HTR2B
SCHEMBL7297641 0.69 ALDH1A1 (0.55) CHRM2CYP3A4CHRM1DRD4HTR2B

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