SCHEMBL8094714

SCHEMBL8094714

O=c1[nH]c2c(c3nc(-c4ccccc4)cn13)CCCC2

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 8/20 0.64
GABRA1 P14867 7/20 0.64
GABRA3 P34903 4/20 0.55
GABRA5 P31644 2/20 0.55
PIM1 P11309 1/20 0.50
RPS6KB1 P23443 1/20 0.50
CSNK1D P48730 1/20 0.50
CLK2 P49760 1/20 0.50
STK3 Q13188 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
IRAK4 Q9NWZ3 1/20 0.50

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
SCHEMBL8094738 0.87 GABRA2 (0.61) GABRA2GABRA1GABRA3GABRA5
SCHEMBL8088161 0.87 GABRA1 (0.61) GABRA2GABRA1GABRA3GABRA5
SCHEMBL8096721 0.87 GABRA2 (0.53) GABRA2GABRA1GABRA3GABRA5
SCHEMBL8103362 0.86 GABRA2 (0.65) GABRA2GABRA1GABRA3GABRA5
SCHEMBL8103080 0.86 MAPK13 (0.57) GABRA2GABRA1GABRA3GABRA5PIM1
SCHEMBL8101242 0.86 GABRA1 (0.50) GABRA2GABRA1GABRA3GABRA5
SCHEMBL8097290 0.85 GABRA1 (0.54) GABRA2GABRA1GABRA3GABRA5
SCHEMBL8097270 0.84 GABRA1 (0.63) GABRA2GABRA1GABRA3GABRA5
SCHEMBL7338092 0.84 GABRA2 (0.60) GABRA2GABRA1GABRA3GABRA5PIM1
SCHEMBL8096416 0.83 GABRA1 (0.67) GABRA2GABRA1GABRA3GABRA5

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