SCHEMBL30948945

SCHEMBL30948945

CCOC(=O)c1ncn2c1C(CC)N=C(c1ccccc1F)c1cc(Br)ccc1-2

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 16/20 0.64
GABRG2 P18507 14/20 0.64
GABRB3 P28472 14/20 0.64
GABRA3 P34903 11/20 0.64
GABRA1 P14867 9/20 0.64
GABRA2 P47869 7/20 0.54
GABRA6 Q16445 3/20 0.54
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43

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
SCHEMBL30056172 0.90 GABRA5 (0.77) GABRA5GABRG2GABRB3GABRA3GABRA1
SCHEMBL7722748 0.90 GABRA5 (0.77) GABRA5GABRG2GABRB3GABRA3GABRA1
SCHEMBL3142423 0.90 GABRA5 (0.77) GABRA5GABRG2GABRB3GABRA3GABRA1
SCHEMBL7722895 0.90 GABRA5 (0.77) GABRA5GABRG2GABRB3GABRA3GABRA1
SCHEMBL30325576 0.90 GABRA5 (0.77) GABRA5GABRG2GABRB3GABRA3GABRA1
SCHEMBL30948949 0.89 GABRA3 (0.50) GABRA5GABRG2GABRB3GABRA3GABRA1
SCHEMBL2845958 0.81 GABRG2 (0.77) GABRA5GABRG2GABRB3GABRA3GABRA1
SCHEMBL23819814 0.80 GABRA5 (0.77) GABRA5GABRG2GABRB3GABRA3GABRA1
SCHEMBL19891697 0.80 GABRA5 (0.77) GABRA5GABRG2GABRB3GABRA3GABRA1
SCHEMBL30255417 0.80 GABRA5 (0.77) GABRA5GABRG2GABRB3GABRA3GABRA1

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-2024077061-A2 GABA(A) RECEPTOR MODULATORS AND METHODS TO CONTROL SMOOTH MUSCLE CONTRACTION AND INFLAMMATION UWM RESEARCH FOUNDATION, INC. (US) 2024-04-11 WO disclosed