SCHEMBL9840368

SCHEMBL9840368

CCCOC(C)c1cccc2[nH]c3cnc(OC(=O)OC(C)C)c(COC)c3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 15/20 0.43
GABRG2 P18507 15/20 0.43
GABRB3 P28472 15/20 0.43
GABRA5 P31644 15/20 0.43
GABRA3 P34903 15/20 0.43
GABRA2 P47869 14/20 0.43
GABRP O00591 11/20 0.43
GABRD O14764 11/20 0.43
GABRB1 P18505 11/20 0.43
GABRB2 P47870 11/20 0.43
GABRA4 P48169 11/20 0.43
GABRE P78334 11/20 0.43
GABRA6 Q16445 11/20 0.43
GABRG1 Q8N1C3 11/20 0.43
GABRG3 Q99928 11/20 0.43
GABRQ Q9UN88 11/20 0.43
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9838883 0.91 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9840293 0.87 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10628062 0.86 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9840009 0.85 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9840585 0.83 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9840043 0.82 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10767371 0.82 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10634397 0.80 GABRA1 (0.62) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9840093 0.80 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8908696 0.80 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3

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
EP-0222693-B1 3-OXADIAZOLYL AND 3-CARBOXYLIC-ACID BETA-CARBOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1991-04-17 EP disclosed