SCHEMBL6021622

SCHEMBL6021622

Cc1nc(C#C[Si](C)(C)C)cn1-c1ccc(C2CC2)nc1.Cc1nc(C#C[Si](C)(C)C)cn1-c1ccc(Cl)nc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.34
CHRNB2 P17787 3/20 0.33
CHRNA4 P43681 3/20 0.33
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CYP11B2 P19099 1/20 0.30

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
SCHEMBL2173659 0.93 GRM5 (0.37) GRM5
SCHEMBL2173112 0.89 GRM5 (0.40) GRM5CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2174683 0.79 GRM5 (0.51) GRM5
SCHEMBL4631174 0.74 GRM5 (0.64) GRM5
SCHEMBL1020277 0.69 GRM5 (0.50) GRM5
SCHEMBL4630595 0.69 GRM5 (0.69) GRM5
SCHEMBL2172122 0.67 GRM5 (0.39) GRM5
SCHEMBL2176710 0.67 GRM5 (0.61) GRM5
SCHEMBL2172650 0.66 POLB (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CYP11B2
SCHEMBL1021159 0.65 GRM5 (0.49) GRM5

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-1636206-A1 IMIDAZOLE DERIVATIVES AS GLUTMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 EP disclosed
WO-2004108701-A1 IMIDAZOLE DERIVATIVES AS GLUTMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-12-16 WO disclosed