SCHEMBL13480595

SCHEMBL13480595

c1ccc2c(NCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 10/20 0.76
ACHE P22303 10/20 0.76
APP P05067 3/20 0.76
BACE1 P56817 3/20 0.76
GABRP O00591 1/20 0.76
GABRD O14764 1/20 0.76
GABRA1 P14867 1/20 0.76
GABRB1 P18505 1/20 0.76
GABRG2 P18507 1/20 0.76
GABRB3 P28472 1/20 0.76
GABRA5 P31644 1/20 0.76
GABRA3 P34903 1/20 0.76
GABRA2 P47869 1/20 0.76
GABRB2 P47870 1/20 0.76
GABRA4 P48169 1/20 0.76
GABRE P78334 1/20 0.76
GABRA6 Q16445 1/20 0.76
GABRG1 Q8N1C3 1/20 0.76
GABRG3 Q99928 1/20 0.76
GABRQ Q9UN88 1/20 0.76

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
SCHEMBL24000133 0.88 BCHE (0.97) BCHEACHEAPPBACE1GABRP
SCHEMBL12552069 0.88 ACHE (0.73) BCHEACHEAPPBACE1GABRP
SCHEMBL13480729 0.88 BCHE (0.92) BCHEACHEAPPBACE1GABRP
SCHEMBL16684271 0.88 BCHE (0.72) BCHEACHEAPPBACE1GABRP
SCHEMBL15168191 0.87 ACHE (1.00) BCHEACHEAPPBACE1GABRP
SCHEMBL29486236 0.87 ACHE (1.00) BCHEACHEAPPBACE1GABRP
SCHEMBL24164216 0.87 ACHE (1.00) BCHEACHEAPPBACE1GABRP
SCHEMBL3366446 0.87 KDM4E (0.92) BCHEACHEAPPBACE1GABRP
SCHEMBL12059555 0.87 ACHE (1.00) BCHEACHEAPPBACE1GABRP
SCHEMBL8523735 0.85 BCHE (0.78) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655801-B2 Substituted carbamic acid quinolin-6-yl esters useful as acetylcholinesterase inhibitors COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2010-02-02 US disclosed