SCHEMBL28630783

SCHEMBL28630783

CC1CNCCC1CN(C(=O)O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRB2 P47870 2/20 0.34
SLC6A12 P48065 2/20 0.34
SLC6A11 P48066 2/20 0.34
SLC6A13 Q9NSD5 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRR1 P24046 1/20 0.34
GABRA4 P48169 1/20 0.34
SSTR4 P31391 4/20 0.33
CHRM1 P11229 3/20 0.32
CHRM3 P20309 3/20 0.32
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
SSTR1 P30872 2/20 0.32
CHRM5 P08912 1/20 0.30

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
SCHEMBL3548933 0.82 SLC6A1 (0.34) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL3548938 0.82 SLC6A1 (0.34) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL3548935 0.82 SLC6A1 (0.34) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL222367 0.80 SLC6A1 (0.49) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL3613801 0.80 SLC6A1 (0.49) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL222368 0.80 SLC6A1 (0.49) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL927784 0.76 GABRA5 (0.39) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL1062304 0.74 CPN1 (0.43) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL29244744 0.74 CPN1 (0.43) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL1442577 0.73 AGL (0.37)

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
CN-113302184-A 1,3, 4-oxadiazolinone compounds and drugs 日本新药株式会社 2021-08-24 CN disclosed