SCHEMBL8523735

SCHEMBL8523735

OCCNc1c2c(nc3ccccc13)CCCC2

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 11/20 0.78
ACHE P22303 10/20 0.78
APP P05067 3/20 0.78
BACE1 P56817 2/20 0.78
GABRP O00591 1/20 0.78
GABRD O14764 1/20 0.78
GABRA1 P14867 1/20 0.78
GABRB1 P18505 1/20 0.78
GABRG2 P18507 1/20 0.78
GABRB3 P28472 1/20 0.78
GABRA5 P31644 1/20 0.78
GABRA3 P34903 1/20 0.78
GABRA2 P47869 1/20 0.78
GABRB2 P47870 1/20 0.78
GABRA4 P48169 1/20 0.78
GABRE P78334 1/20 0.78
GABRA6 Q16445 1/20 0.78
GABRG1 Q8N1C3 1/20 0.78
GABRG3 Q99928 1/20 0.78
GABRQ Q9UN88 1/20 0.78

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
SCHEMBL8540965 0.92 BCHE (0.82) BCHEACHEAPPBACE1GABRP
SCHEMBL38658735 0.92 BCHE (0.82) BCHEACHEAPPBACE1GABRP
SCHEMBL8520784 0.90 ACHE (0.88) BCHEACHEAPPBACE1GABRP
SCHEMBL38658907 0.90 ACHE (0.88) BCHEACHEAPPBACE1GABRP
SCHEMBL24000133 0.89 BCHE (0.97) BCHEACHEAPPBACE1GABRP
SCHEMBL13480729 0.89 BCHE (0.92) BCHEACHEAPPBACE1GABRP
SCHEMBL12059555 0.87 ACHE (1.00) BCHEACHEAPPBACE1GABRP
SCHEMBL15168191 0.87 ACHE (1.00) BCHEACHEAPPBACE1GABRP
SCHEMBL29486236 0.87 ACHE (1.00) BCHEACHEAPPBACE1GABRP
SCHEMBL24164216 0.87 ACHE (1.00) BCHEACHEAPPBACE1GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021047572-A1 GSK-3β/CHE DOUBLE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 中国药科大学 2021-03-18 WO disclosed
CN-111349085-B Pyrimidone compounds or pharmaceutically acceptable salts thereof, preparation method and application 中国药科大学 2021-02-09 CN disclosed
CN-111349085-A Pyrimidone compounds or pharmaceutically acceptable salts thereof, preparation method and application 中国药科大学 2020-06-30 CN disclosed
WO-2012065527-A1 COMPOUDS AND USES AS L-TYPE CALCIUM CHANNEL BLOCKER AND/OR ACETYLCHOLINESTERASE INHIBITOR THEREOF 江苏先声药物研究有限公司 (CN) 2012-05-24 WO disclosed
WO-2007122274-A1 ACETYLCHOLINESTERASE-INHIBITING COMPOUNDS FOR TREATING ALZHEIMER'S DISEASE UNIVERSIDAD DE BARCELONA (ES) 2007-11-01 WO disclosed