SCHEMBL7972248

SCHEMBL7972248

Cn1ncnc1COc1nn2c(-c3cccnc3)nnc2cc1C1CCC1

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 19/20 0.82
GABRB3 P28472 19/20 0.82
GABRA3 P34903 19/20 0.82
GABRA1 P14867 13/20 0.82
GABRA2 P47869 10/20 0.82
GABRA5 P31644 7/20 0.70
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7973855 0.95 GABRG2 (0.77) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL220805 0.90 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL340891 0.88 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL341094 0.88 GABRG2 (0.84) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL340743 0.88 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7960423 0.87 GABRG2 (0.83) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2655130 0.86 GABRG2 (0.82) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7960043 0.86 GABRG2 (0.84) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6774402 0.85 GABRG2 (0.83) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2657579 0.84 GABRG2 (0.78) 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-6291460-B1 TREATMENT OF ANXIETY; TREATMENT AND/OR PREVENTION OF CONVULSIONS MERCK SHARP & DOHME LIMITED (GB) 2001-09-18 US claimed
US-6291460-B1 TREATMENT OF ANXIETY; TREATMENT AND/OR PREVENTION OF CONVULSIONS MERCK SHARP & DOHME LIMITED (GB) 2001-09-18 US disclosed