SCHEMBL29979211

SCHEMBL29979211

O=Cc1ccc2oc(-c3cccc(Cl)c3)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 7/20 0.52
GABRD O14764 7/20 0.52
GABRA1 P14867 7/20 0.52
GABRB1 P18505 7/20 0.52
GABRG2 P18507 7/20 0.52
GABRB3 P28472 7/20 0.52
GABRA5 P31644 7/20 0.52
GABRA3 P34903 7/20 0.52
GABRA2 P47869 7/20 0.52
GABRB2 P47870 7/20 0.52
GABRA4 P48169 7/20 0.52
GABRE P78334 7/20 0.52
GABRA6 Q16445 7/20 0.52
GABRG1 Q8N1C3 7/20 0.52
GABRG3 Q99928 7/20 0.52
GABRQ Q9UN88 7/20 0.52
PTPN1 P18031 1/20 0.51
PTGS2 P35354 1/20 0.51
CYP26B1 Q9NR63 1/20 0.46
CHRM2 P08172 1/20 0.45

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
SCHEMBL28429335 1.00 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6239571 0.83 MAOB (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28896611 0.83 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29979155 0.83 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30861756 0.80 MAOB (0.62) CYP26B1MAOBCYP1A1CYP1A2CYP1B1
SCHEMBL29214175 0.80 MAOB (0.62) CYP26B1MAOBCYP1A1CYP1A2CYP1B1
SCHEMBL28427113 0.79 CYP1A1 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29978804 0.79 CYP1A1 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15156785 0.78 ESR1 (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18003136 0.77 GABRP (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111072604-B Alpha-aminoamide derivatives and use thereof 广东东阳光药业有限公司 2022-11-04 CN disclosed