SCHEMBL4599448

SCHEMBL4599448

Cc1ncn2c1Cn1nc(C(C)O)nc1-c1ccccc1-2

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 20/20 0.58
GABRB3 P28472 20/20 0.58
GABRA5 P31644 20/20 0.58
GABRA1 P14867 6/20 0.50
GABRA3 P34903 6/20 0.50
GABRA2 P47869 6/20 0.50

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
SCHEMBL2823310 1.00 GABRG2 (0.58) GABRG2GABRB3GABRA5GABRA1GABRA3
Hydrochloric Acid SCHEMBL2823425 0.99 GABRG2 (0.57) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL2828336 0.84 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA1GABRA3
Hydrochloric Acid SCHEMBL2824438 0.84 GABRG2 (0.60) GABRG2GABRB3GABRA5GABRA1GABRA3
Hydrochloric Acid SCHEMBL2828761 0.84 GABRG2 (0.71) GABRG2GABRB3GABRA5GABRA1GABRA3
Hydrochloric Acid SCHEMBL2826643 0.84 GABRG2 (0.60) GABRG2GABRB3GABRA5GABRA1GABRA3
Hydrochloric Acid SCHEMBL2828142 0.84 GABRG2 (0.60) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL4599811 0.82 GABRG2 (0.61) GABRG2GABRB3GABRA5GABRA1GABRA3
Hydrochloric Acid SCHEMBL2826712 0.81 GABRG2 (0.60) GABRG2GABRB3GABRA5GABRA1GABRA3
Hydrochloric Acid SCHEMBL2825001 0.81 GABRG2 (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
EP-1937688-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-02 EP disclosed
WO-2007042421-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-19 WO disclosed