SCHEMBL21496863

SCHEMBL21496863

CC(C)(OP(=O)(O)O)c1cnn2c(-c3ccc(F)c(-c4c(F)cccc4C#N)c3)cnc2n1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 20/20 0.76
GABRG2 P18507 20/20 0.76
GABRB3 P28472 20/20 0.76
GABRA3 P34903 16/20 0.76
GABRA5 P31644 14/20 0.76
GABRA2 P47869 12/20 0.76

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
Phosphoric Acid SCHEMBL21496862 0.90 GABRA1 (0.92) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL1605144 0.87 GABRA1 (0.88) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL1081801 0.87 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6200327 0.86 GABRA1 (0.85) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL12962761 0.77 GABRA1 (0.71) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6199608 0.76 GABRA1 (0.81) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL31678897 0.76 GABRA1 (0.77) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL21496858 0.76 GABRA1 (0.69) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL21496859 0.76 GABRA1 (0.69) GABRA1GABRG2GABRB3GABRA3GABRA5
Phosphoric Acid SCHEMBL21496860 0.76 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA3GABRA5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3781566-A1 GABAA POSITIVE ALLOSTERIC MODULATOR COMPOUNDS, METHODS OF MAKING, AND USES THEREOF Neurocycle Therapeutics, Inc. (US) 2021-02-24 EP claimed
WO-2019204446-A1 GABAA POSITIVE ALLOSTERIC MODULATOR COMPOUNDS, METHODS OF MAKING, AND USES THEREOF NEUROCYCLE THERAPEUTICS, INC. (US) 2019-10-24 WO claimed