SCHEMBL9869693

SCHEMBL9869693

CN1Cc2c(I)ncn2-c2ccc(F)cc2C1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 10/20 0.63
GABRB3 P28472 10/20 0.63
GABRA5 P31644 10/20 0.63
GABRA1 P14867 8/20 0.63
GABRA3 P34903 8/20 0.63
GABRA2 P47869 8/20 0.63
GABRA6 Q16445 8/20 0.63
GABRA4 P48169 4/20 0.63
GABRP O00591 2/20 0.63
GABRD O14764 2/20 0.63
GABRB1 P18505 2/20 0.63
GABRB2 P47870 2/20 0.63
GABRE P78334 2/20 0.63
GABRG1 Q8N1C3 2/20 0.63
GABRG3 Q99928 2/20 0.63
GABRQ Q9UN88 2/20 0.63
GRM5 P41594 1/20 0.63
MEN1 O00255 1/20 0.62
ALDH1A1 P00352 1/20 0.62
CYP1A2 P05177 1/20 0.62

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
SCHEMBL10963571 0.85 GABRG2 (0.63) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL10962583 0.85 GABRG2 (0.63) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7271368 0.83 GABRG2 (0.61) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL27841674 0.82 GABRG2 (0.61) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7271107 0.82 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7332740 0.82 GABRA1 (0.74) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL11217198 0.82 GABRG2 (0.64) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL10569670 0.82 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9869532 0.82 GABRG2 (0.59) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL10625704 0.81 GABRA1 (0.72) GABRG2GABRB3GABRA5GABRA1GABRA3

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