SCHEMBL9870366

SCHEMBL9870366

CN1Cc2c(I)ncn2-c2cccc(Br)c2C1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA5 P31644 2/20 0.47
GABRA3 P34903 2/20 0.47
GABRA2 P47869 2/20 0.47
GABRA6 Q16445 2/20 0.47
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRB1 P18505 1/20 0.47
GRM5 P41594 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47
GABRE P78334 1/20 0.47
GABRG1 Q8N1C3 1/20 0.47
GABRG3 Q99928 1/20 0.47
GABRQ Q9UN88 1/20 0.47

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
SCHEMBL9869062 0.86 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9869426 0.85 GABRG2 (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7274213 0.82 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7392017 0.82 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7390793 0.81 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7274219 0.79 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9869532 0.79 GABRG2 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10569786 0.78 GRM5 (0.77) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7427139 0.78 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9668447 0.77 GABRA1 (0.55) 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
US-5021411-A Tranquilizers, anticonvulsants HOFFMANN-LA ROCHE INC. (US) 1991-06-04 US disclosed
US-4863920-A SEDATIVES, TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1989-09-05 US disclosed