SCHEMBL8103248

SCHEMBL8103248

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

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA3 P34903 11/20 0.63
GABRA2 P47869 10/20 0.63
GABRA1 P14867 9/20 0.63
GABRA5 P31644 5/20 0.63

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
SCHEMBL8100749 0.85 GABRA3 (0.65) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8103365 0.85 GABRA3 (0.62) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8096736 0.82 GABRA3 (0.67) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8100502 0.82 GABRA3 (0.56) GABRA3GABRA2GABRA1GABRA5
Hydrochloric Acid SCHEMBL8103212 0.82 GABRA3 (0.61) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8094937 0.82 GABRA3 (0.61) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8094605 0.81 GABRA3 (0.62) GABRA3GABRA2GABRA1GABRA5
Hydrochloric Acid SCHEMBL8100762 0.80 GABRA3 (0.71) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8096386 0.80 GABRA3 (0.61) GABRA3GABRA2GABRA1GABRA5
SCHEMBL7335981 0.80 GABRA3 (0.64) 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 9 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 claimed
US-5185446-A Treating anxiety, sleep, seizure disorders NEUROGEN CORPORATION (US) 1993-02-09 US 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
EP-0547168-A1 CERTAIN CYCLOALKYL IMIDAZOPYRIMIDINES, A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1993-06-23 EP disclosed
US-5185446-A Treating anxiety, sleep, seizure disorders NEUROGEN CORPORATION (US) 1993-02-09 US disclosed
WO-1992004351-A1 CERTAIN CYCLOALKYL IMIDAZOPYRIMIDINES, A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1992-03-19 WO disclosed