SCHEMBL7525762

SCHEMBL7525762

CCOC(=O)c1ncn2c1CN=C(Cc1ccccc1Cl)c1cc(Cl)ccc1-2

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 12/20 0.58
GABRB3 P28472 12/20 0.58
GABRA5 P31644 11/20 0.58
GABRA2 P47869 6/20 0.58
GABRA3 P34903 6/20 0.58
GABRA1 P14867 5/20 0.58
GABRB2 P47870 3/20 0.58
GABRA6 Q16445 3/20 0.58
GABRA4 P48169 2/20 0.58

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
SCHEMBL11628537 0.85 GABRG2 (0.66) GABRG2GABRB3GABRA5GABRA2GABRA3
SCHEMBL2841060 0.82 GABRG2 (0.76) GABRG2GABRB3GABRA5GABRA2GABRA3
SCHEMBL30730005 0.80 GABRG2 (0.77) GABRG2GABRB3GABRA5GABRA2GABRA3
SCHEMBL7722534 0.78 GABRG2 (0.75) GABRG2GABRB3GABRA5GABRA2GABRA3
SCHEMBL9264536 0.77 GABRG2 (0.57) GABRG2GABRB3GABRA5GABRA2GABRA3
SCHEMBL6869006 0.75 GABRG2 (0.63) GABRG2GABRB3GABRA5GABRA2GABRA3
SCHEMBL7317652 0.74 GABRA3 (0.60) GABRG2GABRB3GABRA5GABRA2GABRA3
SCHEMBL18329262 0.74 GABRG2 (0.69) GABRG2GABRB3GABRA5GABRA2GABRA3
Ro-151310 SCHEMBL5748925 0.74 GABRA1 (1.00) GABRG2GABRB3GABRA5GABRA2GABRA3
SCHEMBL29618010 0.74 GABRG2 (0.69) GABRG2GABRB3GABRA5GABRA2GABRA3

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-4280957-A Imidazodiazepines and processes therefor HOFFMANN-LA ROCHE INC. (US) 1981-07-28 US disclosed