SCHEMBL16638527

SCHEMBL16638527

C[Si](C)(C)C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(CCl)ncn1-2

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 7/20 0.57
GABRB3 P28472 7/20 0.57
GABRA3 P34903 6/20 0.57
GABRA1 P14867 6/20 0.57
GABRA5 P31644 6/20 0.57
GABRA2 P47869 6/20 0.57
GABRA6 Q16445 2/20 0.50
GABRA4 P48169 1/20 0.50
GABRB2 P47870 1/20 0.41

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
SCHEMBL16638528 0.90 GABRG2 (0.57) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL17088094 0.90 GABRG2 (0.51) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL16638526 0.87 GABRG2 (0.56) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL16638523 0.83 GABRG2 (0.60) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL16638524 0.83 GABRG2 (0.57) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL8235857 0.82 GABRG2 (0.46) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL19368385 0.81 GABRG2 (0.59) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL17088098 0.80 GABRG2 (0.54) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL19929160 0.80 GABRG2 (0.60) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL13966574 0.80 GABRG2 (0.55) GABRG2GABRB3GABRA3GABRA1GABRA5

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-9006233-B2 Gabaergic receptor subtype selective ligands and their uses UWM RESEARCH FOUNDATION, INC. (US) 2015-04-14 US disclosed