SCHEMBL29756404

SCHEMBL29756404

Cc1nccc2c1[nH]c1cccc(C)c12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 13/20 0.63
GABRP O00591 2/20 0.63
GABRD O14764 2/20 0.63
GABRA1 P14867 2/20 0.63
GABRB1 P18505 2/20 0.63
GABRG2 P18507 2/20 0.63
GABRB3 P28472 2/20 0.63
GABRA5 P31644 2/20 0.63
GABRA3 P34903 2/20 0.63
GABRA2 P47869 2/20 0.63
GABRB2 P47870 2/20 0.63
GABRA4 P48169 2/20 0.63
GABRE P78334 2/20 0.63
GABRA6 Q16445 2/20 0.63
GABRG1 Q8N1C3 2/20 0.63
GABRG3 Q99928 2/20 0.63
GABRQ Q9UN88 2/20 0.63
KDM4E B2RXH2 2/20 0.63
ALDH1A1 P00352 2/20 0.63
CYP1A2 P05177 2/20 0.63

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
SCHEMBL12016685 0.80 KIF11 (0.51) MAOAGABRPGABRDGABRA1GABRB1
SCHEMBL29726993 0.78 KIF11 (0.68) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16256557 0.78 KIF11 (0.68) GABRPGABRDGABRA1GABRB1GABRG2
Harman SCHEMBL9754741 0.77 MAOA (1.00) MAOAGABRPGABRDGABRA1GABRB1
Harman SCHEMBL29630272 0.77 MAOA (1.00) MAOAGABRPGABRDGABRA1GABRB1
Harman SCHEMBL141723 0.77 MAOA (1.00) MAOAGABRPGABRDGABRA1GABRB1
Harman SCHEMBL9480937 0.77 MAOA (1.00) MAOAGABRPGABRDGABRA1GABRB1
SCHEMBL14956337 0.76 BCHE (0.71) MAOAGABRPGABRDGABRA1GABRB1
Harman SCHEMBL9717439 0.76 MAOA (0.96) MAOAGABRPGABRDGABRA1GABRB1
Harman SCHEMBL3764237 0.76 MAOA (0.96) MAOAGABRPGABRDGABRA1GABRB1

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-110382496-B Substituted pyrido [3,4-b ] indoles for the treatment of cartilage disorders 赛诺菲 2022-08-09 CN disclosed