SCHEMBL2653652

SCHEMBL2653652

CCNc1cc(-c2cccc(Br)c2)cnn1.CCNc1cc(-c2ccccc2-c2ccc(F)cc2C#N)cnn1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 18/20 0.62
GABRB3 P28472 18/20 0.62
GABRA5 P31644 18/20 0.62
GABRA3 P34903 18/20 0.62
GABRA1 P14867 7/20 0.62
GRM5 P41594 1/20 0.33

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
SCHEMBL2653199 0.85 GABRG2 (0.63) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2653655 0.79 GABRG2 (0.63) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2654031 0.79 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2653163 0.78 GABRG2 (0.52) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2652400 0.75 GABRG2 (0.65) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2652837 0.74 GABRG2 (0.51) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2652309 0.73 GABRG2 (0.46) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2654979 0.72 GABRG2 (0.54) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2650791 0.70 KDM4E (0.43) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2653954 0.69 ABL1 (0.46) GABRG2GABRB3GABRA5GABRA3GABRA1

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-1532120-A1 PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-05-25 EP disclosed
WO-2004014865-A1 PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2004-02-19 WO disclosed