SCHEMBL9687489

SCHEMBL9687489

CC(C)OC(=O)Oc1cc2c(cn1)[nH]c1cccc(Oc3ncccn3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 16/20 0.43
GABRG2 P18507 16/20 0.43
GABRB3 P28472 16/20 0.43
GABRA5 P31644 16/20 0.43
GABRA3 P34903 16/20 0.43
GABRA2 P47869 16/20 0.43
GABRA6 Q16445 12/20 0.43
GABRA4 P48169 11/20 0.43
GABRP O00591 9/20 0.43
GABRD O14764 9/20 0.43
GABRB1 P18505 9/20 0.43
GABRB2 P47870 9/20 0.43
GABRE P78334 9/20 0.43
GABRG1 Q8N1C3 9/20 0.43
GABRG3 Q99928 9/20 0.43
GABRQ Q9UN88 9/20 0.43
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL9688102 0.86 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9046901 0.85 RHEB (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9688786 0.84 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9836444 0.78 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9527431 0.76 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9524852 0.75 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9534414 0.74 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9689076 0.74 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9688731 0.73 GABRA1 (0.62) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9015277 0.69 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0237467-B1 HETEROARYL-OXY-BETA-CARBOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-10-28 EP claimed
EP-0237467-B1 HETEROARYL-OXY-BETA-CARBOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-10-28 EP disclosed