SCHEMBL30646325

SCHEMBL30646325

COc1ccc2c(n1)[nH]c1ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.57
GABRP O00591 2/20 0.51
GABRD O14764 2/20 0.51
GABRA1 P14867 2/20 0.51
GABRB1 P18505 2/20 0.51
GABRG2 P18507 2/20 0.51
GABRB3 P28472 2/20 0.51
GABRA5 P31644 2/20 0.51
GABRA3 P34903 2/20 0.51
GABRA2 P47869 2/20 0.51
GABRB2 P47870 2/20 0.51
GABRA4 P48169 2/20 0.51
GABRE P78334 2/20 0.51
GABRA6 Q16445 2/20 0.51
GABRG1 Q8N1C3 2/20 0.51
GABRG3 Q99928 2/20 0.51
GABRQ Q9UN88 2/20 0.51
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.47

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
SCHEMBL27085642 1.00 CA5A (0.57) CA5AGABRPGABRDGABRA1GABRB1
SCHEMBL19958180 0.79 MAPT (0.70) MAPTDYRK1ACLK1CLK2CLK4
SCHEMBL676055 0.77 CA5A (0.62) CA5AGABRPGABRDGABRA1GABRB1
SCHEMBL25694430 0.77 CA5A (0.62) CA5AGABRPGABRDGABRA1GABRB1
SCHEMBL676190 0.75 CA5A (0.49) CA5AMAPTALDH1A1HSD17B10KDM4E
SCHEMBL675283 0.75 KDM4E (0.50) CA5AMAPTALDH1A1HSD17B10KDM4E
SCHEMBL23319574 0.73 CA5A (0.62) CA5AGABRPGABRDGABRA1GABRB1
SCHEMBL1336334 0.73 CA5A (1.00) CA5AGABRPGABRDGABRA1GABRB1
SCHEMBL29623886 0.73 CA5A (1.00) CA5AGABRPGABRDGABRA1GABRB1
SCHEMBL675082 0.73 CA5A (0.68) CA5AGABRPGABRDGABRA1GABRB1

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
CN-117105942-A Preparation method of 5H-pyrazino [2,3-b ] indole compound 南昌大学 2023-11-24 CN disclosed