SCHEMBL14217645

SCHEMBL14217645

C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C)ncn1-2

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 14/20 0.68
GABRB3 P28472 14/20 0.68
GABRA3 P34903 14/20 0.68
GABRA2 P47869 8/20 0.68
GABRA1 P14867 8/20 0.68
GABRA5 P31644 7/20 0.68
GABRA6 Q16445 2/20 0.68
GABRA4 P48169 1/20 0.68
GABRB2 P47870 2/20 0.59

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
SCHEMBL13061778 0.86 GABRA3 (0.70) GABRG2GABRB3GABRA3GABRA2GABRA1
SCHEMBL19922700 0.85 GABRG2 (0.71) GABRG2GABRB3GABRA3GABRA2GABRA1
SCHEMBL8235774 0.85 GABRG2 (0.50) GABRG2GABRB3GABRA3GABRA2GABRA1
SCHEMBL10045479 0.84 GABRG2 (0.77) GABRG2GABRB3GABRA3GABRA2GABRA1
SCHEMBL637699 0.84 GABRG2 (0.79) GABRG2GABRB3GABRA3GABRA2GABRA1
SCHEMBL18096770 0.84 GABRA3 (0.62) GABRG2GABRB3GABRA3GABRA2GABRA1
SCHEMBL13966572 0.83 GABRG2 (0.60) GABRG2GABRB3GABRA3GABRA2GABRA1
SCHEMBL17088100 0.83 GABRG2 (0.65) GABRG2GABRB3GABRA3GABRA2GABRA1
SCHEMBL16638525 0.83 GABRG2 (0.74) GABRG2GABRB3GABRA3GABRA2GABRA1
SCHEMBL639291 0.82 GABRG2 (0.74) GABRG2GABRB3GABRA3GABRA2GABRA1

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-1925614-A1 Anxiolytic agents with reduced sedative and ataxic effects Wisys Technology Foundation, Inc. (US) 2008-05-28 EP disclosed