SCHEMBL7328404

SCHEMBL7328404

CCCCOC(=O)N1CCc2[nH]c(=O)n3cc(-c4ccccc4F)nc3c2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 8/20 0.77
GABRA3 P34903 10/20 0.74
GABRA1 P14867 9/20 0.74
GABRA2 P47869 9/20 0.74

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
SCHEMBL7327402 0.92 GABRA5 (0.82) GABRA5GABRA3GABRA1GABRA2
SCHEMBL7327804 0.87 GABRA5 (1.00) GABRA5GABRA3GABRA1GABRA2
SCHEMBL7327899 0.87 GABRA3 (0.82) GABRA5GABRA3GABRA1GABRA2
SCHEMBL7329893 0.85 GABRA3 (0.86) GABRA5GABRA3GABRA1GABRA2
SCHEMBL7330195 0.85 GABRA3 (1.00) GABRA5GABRA3GABRA1GABRA2
SCHEMBL7326033 0.84 GABRA3 (1.00) GABRA5GABRA3GABRA1GABRA2
SCHEMBL7327203 0.82 GABRA3 (1.00) GABRA5GABRA3GABRA1GABRA2
SCHEMBL8103073 0.81 GABRA3 (0.59) GABRA5GABRA3GABRA1GABRA2
SCHEMBL7335482 0.81 GABRA1 (0.90) GABRA5GABRA3GABRA1GABRA2
SCHEMBL7333843 0.80 GABRA3 (0.80) GABRA5GABRA3GABRA1GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536295-A1 CERTAIN AZACYCLOALKYL IMIDAZOPYRIMIDINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1993-04-14 EP claimed
US-5095015-A G-aminobutyric acid, anticonvulsants, tranquilizers, sleep disorders NEUROGEN CORPORATION (US) 1992-03-10 US claimed
WO-1992000296-A1 CERTAIN AZACYCLOALKYL IMIDAZOPYRIMIDINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1992-01-09 WO claimed
US-5510480-A FOR SELECTIVE BINDING WITH GAMMA-AMINOBUTYRIC ACID RECEPTORS NEUROGEN CORPORATION (US) 1996-04-23 US disclosed
US-5328912-A Psychological disorders, cognition activators NEUROGEN CORPORATION (US) 1994-07-12 US disclosed
EP-0536295-A1 CERTAIN AZACYCLOALKYL IMIDAZOPYRIMIDINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1993-04-14 EP disclosed
US-5095015-A G-aminobutyric acid, anticonvulsants, tranquilizers, sleep disorders NEUROGEN CORPORATION (US) 1992-03-10 US disclosed
WO-1992000296-A1 CERTAIN AZACYCLOALKYL IMIDAZOPYRIMIDINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1992-01-09 WO disclosed