SCHEMBL7654070

SCHEMBL7654070

Cc1cc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4C2)no1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 20/20 1.00
GABRB3 P28472 20/20 1.00
GABRA5 P31644 20/20 1.00
GABRA3 P34903 19/20 1.00
GABRA2 P47869 19/20 1.00
GABRA1 P14867 17/20 1.00
GABRA4 P48169 1/20 0.69
GABRA6 Q16445 1/20 0.69

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
SCHEMBL7652809 0.96 GABRG2 (0.93) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7658607 0.89 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7398336 0.85 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL2653985 0.83 GABRG2 (0.92) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL2461190 0.82 GABRA1 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7655293 0.81 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7399747 0.80 GABRG2 (0.80) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7654062 0.80 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7212885 0.80 GABRA1 (0.84) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7212221 0.80 GABRA1 (0.84) GABRG2GABRB3GABRA5GABRA3GABRA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6465462-B1 COGNITION ENHANCEMENT FOR DEMENTING ILLNESSES SUCH AS ALZHEIMER'S DISEASE MERCK SHARP & DOHME LTD. 2002-10-15 US disclosed