SCHEMBL7326976

SCHEMBL7326976

O=c1[nH]c2c(c3nc(-c4ccccc4F)cn13)CN(Cc1ccc(F)cc1)CC2

nearest known ligand 0.89

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 13/20 0.89
GABRA2 P47869 13/20 0.89
GABRA3 P34903 11/20 0.89
GABRA5 P31644 7/20 0.89

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
SCHEMBL7329097 0.94 GABRA1 (1.00) GABRA1GABRA2GABRA3GABRA5
SCHEMBL7329463 0.93 GABRA1 (0.86) GABRA1GABRA2GABRA3GABRA5
SCHEMBL7328167 0.92 GABRA1 (1.00) GABRA1GABRA2GABRA3GABRA5
SCHEMBL7336016 0.91 GABRA1 (0.83) GABRA1GABRA2GABRA3GABRA5
SCHEMBL7330173 0.90 GABRA1 (0.82) GABRA1GABRA2GABRA3GABRA5
SCHEMBL7325371 0.90 GABRA1 (0.85) GABRA1GABRA2GABRA3GABRA5
SCHEMBL9001300 0.89 GABRA1 (1.00) GABRA1GABRA2GABRA3GABRA5
SCHEMBL9001329 0.89 GABRA1 (1.00) GABRA1GABRA2GABRA3GABRA5
SCHEMBL7328099 0.89 GABRA3 (0.82) GABRA1GABRA2GABRA3GABRA5
SCHEMBL7336040 0.88 GABRA2 (0.77) GABRA1GABRA2GABRA3GABRA5

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
EP-0248594-B1 Pharmacologically active 1,5-diaryl-3-substituted-pyrazoles and method for synthesizing the same ORTHO PHARMA CORP (US) 1993-11-24 EP claimed
US-5095015-A G-aminobutyric acid, anticonvulsants, tranquilizers, sleep disorders NEUROGEN CORPORATION (US) 1992-03-10 US claimed
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
US-5095015-A G-aminobutyric acid, anticonvulsants, tranquilizers, sleep disorders NEUROGEN CORPORATION (US) 1992-03-10 US disclosed
WO-1992000296-A1 CERTAIN AZACYCLOALKYL IMIDAZOPYRIMIDINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1992-01-09 WO disclosed