SCHEMBL9537032

SCHEMBL9537032

CCCCOC(=O)NC1CCc2[nH]c(=O)n3cc(-c4ccccc4F)nc3c2C1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA3 P34903 11/20 0.57
GABRA2 P47869 9/20 0.57
GABRA1 P14867 8/20 0.57
GABRA5 P31644 8/20 0.57

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
SCHEMBL8103073 0.87 GABRA3 (0.59) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8097288 0.86 GABRA3 (0.56) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8101152 0.80 GABRA3 (0.60) GABRA3GABRA2GABRA1GABRA5
SCHEMBL7328404 0.79 GABRA5 (0.77) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8103365 0.76 GABRA3 (0.62) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8100749 0.76 GABRA3 (0.65) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8094937 0.75 GABRA3 (0.61) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8094556 0.74 GABRA3 (0.58) GABRA3GABRA2GABRA1GABRA5
Hydrochloric Acid SCHEMBL8103212 0.74 GABRA3 (0.61) GABRA3GABRA2GABRA1GABRA5
SCHEMBL7327402 0.73 GABRA5 (0.82) GABRA3GABRA2GABRA1GABRA5

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-0547168-A1 CERTAIN CYCLOALKYL IMIDAZOPYRIMIDINES, A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1993-06-23 EP disclosed
WO-1992004351-A1 CERTAIN CYCLOALKYL IMIDAZOPYRIMIDINES, A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1992-03-19 WO disclosed