SCHEMBL5770131

SCHEMBL5770131

CCCC[Sn](CCCC)(CCCC)c1cnc2nc(C(C)(C)F)ccn12

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 16/20 0.37
GABRG2 P18507 16/20 0.37
GABRB3 P28472 16/20 0.37
GABRA3 P34903 15/20 0.37
GABRA5 P31644 7/20 0.32
GABRA2 P47869 1/20 0.31

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
SCHEMBL6220460 0.93 GABRA1 (0.37) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5771904 0.91 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5768907 0.82 GABRA1 (0.32) GABRA1GABRG2GABRB3GABRA3
SCHEMBL6218692 0.72 BACE1 (0.40)
SCHEMBL5772782 0.70 CYP19A1 (0.32)
SCHEMBL23089396 0.69 CYP11B1 (0.35)
SCHEMBL376385 0.66 ADORA3 (0.39)
SCHEMBL30705250 0.66 PRMT5 (0.33)
SCHEMBL5740031 0.65
SCHEMBL5768203 0.62 GABRA1 (0.81) GABRA1GABRG2GABRB3GABRA3GABRA5

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
EP-1383768-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-09-06 EP disclosed