SCHEMBL8094530

SCHEMBL8094530

CN(C)c1nc2c(c3nc(-c4ccccc4F)cn13)CCCC2

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA3 P34903 11/20 0.44
GABRA2 P47869 9/20 0.41
GABRA1 P14867 8/20 0.41
GABRA5 P31644 6/20 0.41

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
SCHEMBL8097295 0.85 GABRA3 (0.44) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8096753 0.83 GABRA3 (0.44) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8886770 0.83 GABRA3 (0.43) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8096803 0.83 GABRA3 (0.44) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8094708 0.81 GABRA3 (0.46) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8103272 0.80 GABRA3 (0.44) GABRA3GABRA2GABRA1GABRA5
SCHEMBL9259795 0.80 GABRA3 (0.41) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8088041 0.79 GABRA3 (0.48) GABRA3GABRA2GABRA1GABRA5
SCHEMBL8087741 0.78 GABRA3 (0.41) GABRA3GABRA2GABRA1GABRA5
SCHEMBL9444178 0.77 GABRA3 (0.41) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5185446-A Treating anxiety, sleep, seizure disorders NEUROGEN CORPORATION (US) 1993-02-09 US 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