SCHEMBL9259121

SCHEMBL9259121

CCOC(=O)c1ncn2c1Cn1ncnc1-c1sccc1-2

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 17/20 0.68
GABRB3 P28472 17/20 0.68
GABRA5 P31644 17/20 0.68
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
GABRA1 P14867 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49

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
SCHEMBL9262794 0.85 GABRG2 (0.47) GABRG2GABRB3GABRA5ALDH1A1CYP1A2
SCHEMBL9658376 0.84 GABRG2 (0.48) GABRG2GABRB3GABRA5ALDH1A1CYP1A2
SCHEMBL9263997 0.84 GABRG2 (0.47) GABRG2GABRB3GABRA5ALDH1A1CYP1A2
SCHEMBL9254656 0.84 GABRG2 (0.52) GABRG2GABRB3GABRA5ALDH1A1CYP1A2
SCHEMBL9267283 0.81 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL8871551 0.81 ALDH1A1 (0.74) GABRG2GABRB3GABRA5ALDH1A1CYP1A2
SCHEMBL9264778 0.80 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3567668 0.78 GABRG2 (0.82) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9259377 0.78 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3569265 0.78 GABRG2 (1.00) 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 1 patent. 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