SCHEMBL9668447

SCHEMBL9668447

CN1Cc2c(C#CC(C)(C)O)ncn2-c2cccc(Br)c2C1=O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.55
GABRG2 P18507 4/20 0.55
GABRB3 P28472 4/20 0.55
GABRA5 P31644 4/20 0.55
GABRA3 P34903 4/20 0.55
GABRA2 P47869 4/20 0.55
GABRA6 Q16445 4/20 0.55
GABRB2 P47870 3/20 0.55
GABRP O00591 2/20 0.55
GABRD O14764 2/20 0.55
GABRB1 P18505 2/20 0.55
GRM5 P41594 2/20 0.55
GABRA4 P48169 2/20 0.55
GABRE P78334 2/20 0.55
GABRG1 Q8N1C3 2/20 0.55
GABRG3 Q99928 2/20 0.55
GABRQ Q9UN88 2/20 0.55
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9870846 0.89 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9670019 0.88 GABRG2 (0.71) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10569786 0.83 GRM5 (0.77) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10574432 0.83 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7392017 0.83 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9670323 0.81 GRM5 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10576604 0.79 GABRG2 (0.74) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9868812 0.79 GABRG2 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10568079 0.77 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9870366 0.77 GABRA1 (0.47) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0285837-B1 IMIDAZODIAZEPIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1992-07-08 EP claimed
US-4863920-A SEDATIVES, TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1989-09-05 US claimed
US-4863920-A SEDATIVES, TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1989-09-05 US disclosed