SCHEMBL9262802

SCHEMBL9262802

COc1ccc2c(c1)cc1n2CC(CC2CCN(Cc3ccccc3)CC2)C1O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.49
BCHE P06276 2/20 0.46
BACE1 P56817 1/20 0.46
MAOA P21397 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44

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
SCHEMBL9261883 0.86 ACHE (0.49) ACHEBCHEMEN1POLBKMT2A
SCHEMBL9260356 0.77 ALDH1A1 (0.48) ACHEBCHEBACE1DRD4
SCHEMBL9258180 0.77 ACHE (0.52) ACHEBCHEBACE1DRD4
SCHEMBL9844722 0.76 ACHE (0.46) ACHEBCHEDRD2DRD4
SCHEMBL9264004 0.75 ACHE (0.50) ACHEBACE1KMT2A
SCHEMBL9264009 0.75 ACHE (0.50) ACHEBACE1KMT2A
SCHEMBL9262810 0.74 BCHE (0.51) ACHEBCHEBACE1DRD2DRD4
SCHEMBL9265158 0.70 ACHE (0.48) ACHEBACE1DRD2
SCHEMBL9262922 0.70 ACHE (0.52) ACHEBCHEBACE1DRD4
SCHEMBL9265528 0.69 ACHE (0.44) ACHEBCHEBACE1MAOADRD2

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