SCHEMBL7973993

SCHEMBL7973993

Cn1ncnc1COc1nn2c(-c3cccnc3)nnc2cc1N1CC=CCC1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 20/20 0.55
GABRB3 P28472 20/20 0.55
GABRA3 P34903 20/20 0.55
GABRA1 P14867 10/20 0.55
GABRA2 P47869 7/20 0.55
GABRA5 P31644 4/20 0.44

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
SCHEMBL7984476 0.91 GABRG2 (0.67) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7972319 0.90 GABRG2 (0.58) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7962537 0.85 GABRG2 (0.55) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7973849 0.84 GABRA1 (0.46) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7991356 0.81 GABRG2 (0.57) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2183283 0.81 GABRG2 (0.83) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL340367 0.80 GABRG2 (0.72) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2656248 0.79 GABRG2 (0.58) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7972248 0.79 GABRG2 (0.82) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7972253 0.78 GABRG2 (0.66) 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-6319924-B1 FOR THERAPY OF DELETERIOUS MENTAL STATES MERCK SHARP & DOHME LTD. (GB) 2001-11-20 US claimed
US-6319924-B1 FOR THERAPY OF DELETERIOUS MENTAL STATES MERCK SHARP & DOHME LTD. (GB) 2001-11-20 US disclosed