SCHEMBL7960043

SCHEMBL7960043

Cn1ncnc1COc1nn2c(-c3ccc(O)cc3)nnc2cc1C1CCC1

nearest known ligand 0.84

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 20/20 0.84
GABRB3 P28472 20/20 0.84
GABRA3 P34903 20/20 0.84
GABRA1 P14867 13/20 0.84
GABRA2 P47869 10/20 0.84
GABRA5 P31644 7/20 0.72

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
SCHEMBL6774402 0.92 GABRG2 (0.83) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL220805 0.92 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7960423 0.90 GABRG2 (0.83) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL340891 0.90 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL341280 0.89 GABRG2 (0.82) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL341094 0.89 GABRG2 (0.84) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL340743 0.89 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6773403 0.88 GABRG2 (0.77) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2657579 0.87 GABRG2 (0.78) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7959488 0.86 GABRG2 (0.77) GABRG2GABRB3GABRA3GABRA1GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6303605-B1 FOR THERAPY OF ANXIETY AND CONVULSIONS MERCK SHARP & DOHME LTD. (GB) 2001-10-16 US claimed
US-6303605-B1 FOR THERAPY OF ANXIETY AND CONVULSIONS MERCK SHARP & DOHME LTD. (GB) 2001-10-16 US disclosed