SCHEMBL9268572

SCHEMBL9268572

Clc1cccc2c1-c1ncnn1Cc1c(-c3nc(C4CC4)no3)ncn1-2

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 7/20 0.59
GABRB3 P28472 7/20 0.59
GABRA5 P31644 7/20 0.59
GABRA1 P14867 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRA6 Q16445 1/20 0.41

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
SCHEMBL9258726 0.86 GABRG2 (0.55) GABRG2GABRB3GABRA5
SCHEMBL9264342 0.84 GABRG2 (0.58) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9268520 0.83 GABRG2 (0.65) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9372064 0.80 GABRA1 (0.63) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9266435 0.80 GABRG2 (0.59) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9259079 0.79 GABRG2 (0.66) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9265109 0.77 GABRG2 (0.41) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL4592960 0.75 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9260584 0.75 GABRG2 (0.55) GABRG2GABRB3GABRA5GABRA1GABRA6
SCHEMBL10627757 0.74 GABRA1 (0.50) 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