SCHEMBL7328607

SCHEMBL7328607

O=c1[nH]c2c(c3nc(-c4cccc(F)c4)cn13)CNCC2

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 8/20 0.62
GABRA1 P14867 7/20 0.62
GABRA3 P34903 5/20 0.48
GABRA5 P31644 2/20 0.48
PARP1 P09874 1/20 0.42

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
SCHEMBL9001207 0.87 MAPK13 (0.54) GABRA2GABRA1GABRA3GABRA5
SCHEMBL7337187 0.87 GABRA2 (0.58) GABRA2GABRA1GABRA3GABRA5PARP1
SCHEMBL7338092 0.87 GABRA2 (0.60) GABRA2GABRA1GABRA3GABRA5
SCHEMBL8103362 0.86 GABRA2 (0.65) GABRA2GABRA1GABRA3GABRA5
SCHEMBL7335981 0.81 GABRA3 (0.64) GABRA2GABRA1GABRA3GABRA5
SCHEMBL9831660 0.79 PARP1 (0.42) PARP1
SCHEMBL7329523 0.77 GABRA1 (0.60) GABRA2GABRA1GABRA3GABRA5
SCHEMBL7328729 0.77 GABRA1 (1.00) GABRA2GABRA1GABRA3GABRA5
SCHEMBL7329155 0.76 GABRA3 (0.49) GABRA2GABRA1GABRA3GABRA5
SCHEMBL7330178 0.76 GABRA1 (0.75) 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-0536295-A1 CERTAIN AZACYCLOALKYL IMIDAZOPYRIMIDINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1993-04-14 EP claimed
US-5095015-A G-aminobutyric acid, anticonvulsants, tranquilizers, sleep disorders NEUROGEN CORPORATION (US) 1992-03-10 US 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
WO-1992000296-A1 CERTAIN AZACYCLOALKYL IMIDAZOPYRIMIDINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1992-01-09 WO disclosed