SCHEMBL9259458

SCHEMBL9259458

O=C1Cn2ncnc2-c2cc(Cl)ccc2N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 13/20 0.49
GABRB3 P28472 13/20 0.49
GABRA5 P31644 13/20 0.49
GABRA1 P14867 5/20 0.49
GABRA3 P34903 5/20 0.49
GABRA2 P47869 5/20 0.49
CNR1 P21554 1/20 0.43
NTSR1 P30989 1/20 0.43
OPRK1 P41145 1/20 0.43
PDE4D Q08499 1/20 0.43
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42
GABRG3 Q99928 2/20 0.42
GABRQ Q9UN88 2/20 0.42

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
SCHEMBL9262960 0.85 GABRG2 (0.48) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3569576 0.84 GABRG2 (0.48) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3568502 0.84 CA9 (0.37) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3569245 0.84 KMT2A (0.53) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9266623 0.80 GABRG2 (0.44) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3573042 0.78 GABRG2 (0.53) GABRG2GABRB3GABRA5CES1LRRK2
SCHEMBL3564162 0.77 CNR1 (0.42) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL8807582 0.74 CNR1 (0.44) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL2822931 0.74 CNR1 (0.39) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9261367 0.73 GABRG2 (0.48) 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-5387585-A Treating epilepsy, anxiety, sleep disorders, schizophrnia, senile dementia HOFFMANN-LA ROCHE INC. (US) 1995-02-07 US disclosed
EP-0519307-A2 Tetracyclic Imidazodiazepines F. HOFFMANN-LA ROCHE AG (CH) 1992-12-23 EP disclosed