SCHEMBL28554136

SCHEMBL28554136

NC1C2CCN(CC2)C1CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.39
SLC6A12 P48065 3/20 0.38
SLC6A11 P48066 3/20 0.38
SLC6A13 Q9NSD5 3/20 0.38
HSD11B1 P28845 1/20 0.31

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
SCHEMBL28554134 1.00 CHRNA7 (0.39) CHRNA7SLC6A12SLC6A11SLC6A13HSD11B1
SCHEMBL28563561 1.00 CHRNA7 (0.39) CHRNA7SLC6A12SLC6A11SLC6A13HSD11B1
SCHEMBL28914779 0.73 HSD11B1 (0.39) CHRNA7SLC6A12SLC6A11SLC6A13HSD11B1
Hydrochloric Acid SCHEMBL9279446 0.69 CHRNA7 (0.41) CHRNA7
SCHEMBL9459170 0.67 CHRNA7 (0.40) CHRNA7
SCHEMBL6012064 0.66 CHRNA7 (0.68) CHRNA7
SCHEMBL277795 0.65 MEN1 (0.35) CHRNA7
SCHEMBL9458795 0.65 CHRM5 (0.42) CHRNA7
SCHEMBL7121823 0.64 SLC6A12 (0.41) SLC6A12SLC6A11SLC6A13
SCHEMBL9458901 0.63 CHRNA7 (0.40) CHRNA7

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-107531689-B Acid addition salts of 3-aminoquinuclidine without deliquescence 有机合成药品工业株式会社 2021-04-13 CN disclosed