SCHEMBL7197657

SCHEMBL7197657

Cn1ncnc1COc1nc2c(-c3ccccc3)nncc2cc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 20/20 0.54
GABRB3 P28472 20/20 0.54
GABRA3 P34903 20/20 0.54
GABRA1 P14867 5/20 0.54
GABRA2 P47869 2/20 0.54
GABRA5 P31644 1/20 0.51

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
SCHEMBL6769562 0.76 GABRG2 (0.58) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2657570 0.72 GABRG2 (0.53) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7001291 0.72 GABRG2 (0.45) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2657377 0.71 CASP1 (0.38) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL340744 0.70 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2658689 0.69 GABRG2 (0.49) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2658287 0.68 GABRG2 (0.47) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2659908 0.68 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2183283 0.67 GABRG2 (0.83) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2659419 0.67 GABRG2 (0.45) GABRG2GABRB3GABRA3GABRA1GABRA2

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-6593325-B1 Method for the treatment of anxiety which comprises administering to a patient in need of such treatment an effective amount of the compound of claim 1 or a pharmaceutically acceptable salt thereof. MERCK SHARP & DOHME LTD. (GB) 2003-07-15 US disclosed