SCHEMBL7330679

SCHEMBL7330679

O=c1[nH]c2c(c3nc(-c4ccccc4)cn13)CN(Cc1ccccc1)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 12/20 1.00
GABRA2 P47869 12/20 1.00
GABRA3 P34903 5/20 0.87
GABRA5 P31644 3/20 0.87

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
SCHEMBL9001264 0.94 GABRA1 (0.89) GABRA1GABRA2GABRA3GABRA5
SCHEMBL9001248 0.93 GABRA1 (1.00) GABRA1GABRA2GABRA3GABRA5
SCHEMBL7329196 0.93 GABRA1 (1.00) GABRA1GABRA2GABRA3GABRA5
SCHEMBL7325628 0.91 GABRA1 (0.84) GABRA1GABRA2GABRA3GABRA5
SCHEMBL7333328 0.91 GABRA1 (1.00) GABRA1GABRA2GABRA3GABRA5
SCHEMBL7328729 0.91 GABRA1 (1.00) GABRA1GABRA2GABRA3GABRA5
SCHEMBL9001255 0.89 GABRA1 (0.81) GABRA1GABRA2GABRA3GABRA5
SCHEMBL9001258 0.88 GABRA1 (1.00) GABRA1GABRA2GABRA3GABRA5
SCHEMBL7329097 0.87 GABRA1 (1.00) GABRA1GABRA2GABRA3GABRA5
SCHEMBL9001192 0.86 GABRA1 (0.86) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5095015-A G-aminobutyric acid, anticonvulsants, tranquilizers, sleep disorders NEUROGEN CORPORATION (US) 1992-03-10 US 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
US-5095015-A G-aminobutyric acid, anticonvulsants, tranquilizers, sleep disorders NEUROGEN CORPORATION (US) 1992-03-10 US disclosed