SCHEMBL9840086

SCHEMBL9840086

CCOC(=O)Oc1ncc2[nH]c3ccc(C(C)OCC(F)(F)F)cc3c2c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 17/20 0.38
GABRG2 P18507 17/20 0.38
GABRB3 P28472 17/20 0.38
GABRA5 P31644 17/20 0.38
GABRA3 P34903 17/20 0.38
GABRA2 P47869 17/20 0.38
GABRA4 P48169 13/20 0.38
GABRA6 Q16445 12/20 0.38
GABRP O00591 6/20 0.38
GABRD O14764 6/20 0.38
GABRB1 P18505 6/20 0.38
GABRB2 P47870 6/20 0.38
GABRE P78334 6/20 0.38
GABRG1 Q8N1C3 6/20 0.38
GABRG3 Q99928 6/20 0.38
GABRQ Q9UN88 6/20 0.38
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL9838848 0.91 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9839026 0.90 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9839919 0.88 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9838999 0.88 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9839932 0.87 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9840090 0.85 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9839891 0.85 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9839021 0.82 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9840004 0.82 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9839126 0.81 GABRA1 (0.48) 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 claimed