SCHEMBL13620855

SCHEMBL13620855

CCc1cc(C#Cc2ccc(C#Cc3ccc(C#C[Si](C)(C)C)cc3CC)cc2CC)ccc1I

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRA6 Q16445 1/20 0.33
FFAR1 O14842 1/20 0.32

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
SCHEMBL13620854 0.91 GABRA1 (0.36) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL13620856 0.80 GABRA1 (0.31) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL4237758 0.75
SCHEMBL28493893 0.73 APP (0.43) FFAR1
SCHEMBL20455776 0.72 POLB (0.42) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL6180348 0.72 GABRA1 (0.36) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL25602199 0.72 GABRA1 (0.36) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL19789974 0.72 FFAR1 (0.51) FFAR1
SCHEMBL12910016 0.70 CYP2A6 (0.47) FFAR1
SCHEMBL13621099 0.70 FFAR1 (0.40) FFAR1

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
WO-2009143328-A2 ON WIRE LITHOGRAPHY-BASED MOLECULAR TRANSPORT JUNCTIONS NORTHWESTERN UNIVERSITY (US) 2009-11-26 WO disclosed