SCHEMBL9001271

SCHEMBL9001271

COc1ccc(-c2cn3c(=O)[nH]c4c(c3n2)CN(C)CC4)c(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA3 P34903 8/20 0.61
GABRA2 P47869 8/20 0.61
GABRA1 P14867 7/20 0.61
GABRA5 P31644 4/20 0.61

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
SCHEMBL8103380 0.86 GABRA3 (0.56) GABRA3GABRA2GABRA1GABRA5
SCHEMBL9001346 0.84 GABRA1 (0.80) GABRA3GABRA2GABRA1GABRA5
SCHEMBL7326519 0.84 GABRA3 (0.76) GABRA3GABRA2GABRA1GABRA5
SCHEMBL9001299 0.84 GABRA1 (0.70) GABRA3GABRA2GABRA1GABRA5
SCHEMBL7330173 0.77 GABRA1 (0.82) GABRA3GABRA2GABRA1GABRA5
SCHEMBL7400875 0.75 GABRA3 (0.43) GABRA3GABRA2GABRA1GABRA5
SCHEMBL7374589 0.74 GABRA3 (0.41) GABRA3GABRA2GABRA1GABRA5
SCHEMBL7399914 0.73 PARP15 (0.45) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8088084 0.72 GABRA2 (0.64) GABRA3GABRA2GABRA1GABRA5
SCHEMBL9001310 0.72 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
US-5328912-A Psychological disorders, cognition activators NEUROGEN CORPORATION (US) 1994-07-12 US claimed
EP-0536295-A1 CERTAIN AZACYCLOALKYL IMIDAZOPYRIMIDINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1993-04-14 EP 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
EP-0533744-A1 HETEROCYCLIC ANTHRACYCLIONE AND ANTHRACYCLINE ANALOGS BIOCHEM PHARMA INC. (CA) 1993-03-31 EP disclosed
WO-1992000296-A1 CERTAIN AZACYCLOALKYL IMIDAZOPYRIMIDINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1992-01-09 WO disclosed