SCHEMBL7328893

SCHEMBL7328893

O=c1[nH]c2c(c3nc(-c4ccccc4F)cn13)CN(CCCc1ccccc1)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA3 P34903 12/20 0.80
GABRA2 P47869 12/20 0.80
GABRA1 P14867 11/20 0.80
GABRA5 P31644 8/20 0.80

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
SCHEMBL7329402 0.95 GABRA3 (0.83) GABRA3GABRA2GABRA1GABRA5
SCHEMBL7327203 0.89 GABRA3 (1.00) GABRA3GABRA2GABRA1GABRA5
SCHEMBL7329097 0.89 GABRA1 (1.00) GABRA3GABRA2GABRA1GABRA5
SCHEMBL9001310 0.85 GABRA3 (1.00) GABRA3GABRA2GABRA1GABRA5
SCHEMBL7326976 0.84 GABRA1 (0.89) GABRA3GABRA2GABRA1GABRA5
SCHEMBL7328099 0.83 GABRA3 (0.82) GABRA3GABRA2GABRA1GABRA5
SCHEMBL7325371 0.83 GABRA1 (0.85) GABRA3GABRA2GABRA1GABRA5
SCHEMBL7328167 0.83 GABRA1 (1.00) GABRA3GABRA2GABRA1GABRA5
SCHEMBL9001331 0.83 GABRA3 (1.00) GABRA3GABRA2GABRA1GABRA5
SCHEMBL9001583 0.83 GABRA3 (1.00) 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 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