SCHEMBL30454035

SCHEMBL30454035

COc1cc(CN2CCN[C@@H](c3ccccc3OC(C)C)C2)cnc1OC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.42
KCNJ1 P48048 7/20 0.39
MAPT P10636 1/20 0.38
GSK3B P49841 4/20 0.38
DRD4 P21917 2/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALK Q9UM73 1/20 0.36

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
SCHEMBL30454441 1.00 PDE10A (0.42) PDE10AKCNJ1MAPTGSK3BDRD4
SCHEMBL25288287 1.00 PDE10A (0.42) PDE10AKCNJ1MAPTGSK3BDRD4
SCHEMBL25355806 1.00 PDE10A (0.42) PDE10AKCNJ1MAPTGSK3BDRD4
SCHEMBL25355799 1.00 PDE10A (0.42) PDE10AKCNJ1MAPTGSK3BDRD4
SCHEMBL25355352 0.93 PDE10A (0.39) PDE10AKCNJ1MAPTGSK3BDRD4
SCHEMBL30453129 0.93 PDE10A (0.39) PDE10AKCNJ1MAPTGSK3BDRD4
SCHEMBL25355357 0.93 PDE10A (0.39) PDE10AKCNJ1MAPTGSK3BDRD4
SCHEMBL30453579 0.91 HCRTR1 (0.41) PDE10AKCNJ1MAPTDRD4MEN1
SCHEMBL25355121 0.91 HCRTR1 (0.41) PDE10AKCNJ1MAPTDRD4MEN1
SCHEMBL25354154 0.91 PDE10A (0.42) PDE10AKCNJ1GSK3BDRD4ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023122000-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2023-06-29 WO disclosed
WO-2023121713-A1 BCL-2 INHIBITORS NEW AVE PHARMACEUTICAL INC. (US) 2023-06-29 WO disclosed