SCHEMBL30104128

SCHEMBL30104128

COC(=O)c1cc2c([nH]c3ccccc32)c(CC(OC)OC)n1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.75
GABRD O14764 2/20 0.75
GABRA1 P14867 2/20 0.75
GABRB1 P18505 2/20 0.75
GABRG2 P18507 2/20 0.75
GABRB3 P28472 2/20 0.75
GABRA5 P31644 2/20 0.75
GABRA3 P34903 2/20 0.75
GABRA2 P47869 2/20 0.75
GABRB2 P47870 2/20 0.75
GABRA4 P48169 2/20 0.75
GABRE P78334 2/20 0.75
GABRA6 Q16445 2/20 0.75
GABRG1 Q8N1C3 2/20 0.75
GABRG3 Q99928 2/20 0.75
GABRQ Q9UN88 2/20 0.75
MAPT P10636 3/20 0.65
KDM4E B2RXH2 2/20 0.65
ALDH1A1 P00352 2/20 0.65
LMNA P02545 2/20 0.65

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
SCHEMBL28916429 1.00 GABRP (0.75) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30104121 1.00 GABRP (0.75) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28047536 0.87 GABRA1 (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29817540 0.87 GABRP (0.84) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28290030 0.86 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30104123 0.86 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28291469 0.84 GABRP (0.82) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28290033 0.83 GABRP (0.77) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28291468 0.82 GABRP (0.79) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2361114 0.81 GABRP (0.77) GABRPGABRDGABRA1GABRB1GABRG2

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
CN-115353546-B Preparation and application of oligopeptide modified bisindolylethyl-beta-carboline-3-carboxylic acid 首都医科大学 2024-10-08 CN disclosed
CN-115353546-A Preparation and application of oligopeptide-modified bis-indolylethyl-beta-carboline-3-carboxylic acid 首都医科大学 2022-11-18 CN disclosed