SCHEMBL8088084

SCHEMBL8088084

O=c1[nH]c2c(c3nc(-c4ccc(F)cc4F)cn13)CCCC2

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 11/20 0.64
GABRA3 P34903 11/20 0.64
GABRA1 P14867 10/20 0.64
GABRA5 P31644 7/20 0.64

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
SCHEMBL8103068 0.91 GABRA2 (0.64) GABRA2GABRA3GABRA1GABRA5
SCHEMBL8103380 0.86 GABRA3 (0.56) GABRA2GABRA3GABRA1GABRA5
SCHEMBL8096736 0.86 GABRA3 (0.67) GABRA2GABRA3GABRA1GABRA5
SCHEMBL8094738 0.83 GABRA2 (0.61) GABRA2GABRA3GABRA1GABRA5
SCHEMBL8103362 0.82 GABRA2 (0.65) GABRA2GABRA3GABRA1GABRA5
SCHEMBL8101039 0.80 GABRA3 (0.52) GABRA2GABRA3GABRA1GABRA5
SCHEMBL9001329 0.79 GABRA1 (1.00) GABRA2GABRA3GABRA1GABRA5
SCHEMBL8103227 0.77 GABRA3 (0.52) GABRA2GABRA3GABRA1GABRA5
SCHEMBL8885602 0.76 GABRA3 (0.51) GABRA2GABRA3GABRA1GABRA5
SCHEMBL8094714 0.76 GABRA2 (0.64) GABRA2GABRA3GABRA1GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5426186-A Diagnosis, treatment of anxiety, sleep and seizure disorders, benzodiazepine overdose; enhancement of alertness NEUROGEN CORPORATION (US) 1995-06-20 US claimed
EP-0547168-A1 CERTAIN CYCLOALKYL IMIDAZOPYRIMIDINES, A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1993-06-23 EP claimed
WO-1992004351-A1 CERTAIN CYCLOALKYL IMIDAZOPYRIMIDINES, A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1992-03-19 WO claimed
US-6013799-A HIGHLY SELECTIVE AGONISTS, ANTAGONISTS OR INVERSE AGONISTS FOR G-AMINOBUTYRIC ACID (GABA) BRAIN RECEPTORS; USEFUL IN DIAGNOSIS/TREATMENT OF ANXIETY, SLEEP, AND SEIZURE DISORDERS, DRUG OVERDOSE, AND ALERTNESS ENHANCEMENT ALERTNESS NEUROGEN CORPORATION (US) 2000-01-11 US disclosed
US-5696260-A AGONSIT, ANTAGONIST, PRODRUG; USEFUL IN DIAGNOSIS AND TREATMENT OF ANXIETY, SLEEP, SEIZURE DISORDER, OVERDOSE WITH BENZODIAZEPINE TYPE DRUGS AND ENHANCEMENT OF ALERTNESS NEUROGEN CORPORATION (US) 1997-12-09 US disclosed
US-5426186-A Diagnosis, treatment of anxiety, sleep and seizure disorders, benzodiazepine overdose; enhancement of alertness NEUROGEN CORPORATION (US) 1995-06-20 US disclosed