SCHEMBL18649983

SCHEMBL18649983

C#Cc1ccc2c(c1)C(c1ccccn1)=NC/C(=C(/N)c1nc(C(C)C)no1)N2C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA3 P34903 15/20 0.49
GABRG2 P18507 10/20 0.49
GABRB3 P28472 10/20 0.49
GABRA2 P47869 12/20 0.48
GABRA1 P14867 12/20 0.48
GABRA5 P31644 11/20 0.48
GABRB2 P47870 8/20 0.48
GABRA6 Q16445 2/20 0.35

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
SCHEMBL13061673 0.75 GABRA3 (0.81) GABRA3GABRG2GABRB3GABRA2GABRA1
SCHEMBL7724596 0.73 GABRA3 (0.63) GABRA3GABRG2GABRB3GABRA2GABRA1
SCHEMBL2845763 0.73 GABRA3 (0.72) GABRA3GABRG2GABRB3GABRA2GABRA1
SCHEMBL19368515 0.66 GABRA3 (0.84) GABRA3GABRG2GABRB3GABRA2GABRA1
SCHEMBL29691961 0.66 GABRA3 (0.84) GABRA3GABRG2GABRB3GABRA2GABRA1
SCHEMBL29711927 0.66 GABRA3 (1.00) GABRA3GABRG2GABRB3GABRA2GABRA1
SCHEMBL19368516 0.66 GABRA3 (1.00) GABRA3GABRG2GABRB3GABRA2GABRA1
SCHEMBL29711999 0.64 GABRA3 (1.00) GABRA3GABRG2GABRB3GABRA2GABRA1
SCHEMBL19368517 0.64 GABRA3 (1.00) GABRA3GABRG2GABRB3GABRA2GABRA1
SCHEMBL13061808 0.64 GABRA3 (0.82) GABRA3GABRG2GABRB3GABRA2GABRA1

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-9597342-B2 GABAergic receptor subtype selective ligands and their uses UWM RESEARCH FOUNDATION, INC. (US) 2017-03-21 US disclosed