SCHEMBL28580076

SCHEMBL28580076

NC(=O)C1CCCC1(N)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 4/20 0.45
ARG2 P78540 2/20 0.45
GRM2 Q14416 5/20 0.41
GRM3 Q14832 3/20 0.41
GRM8 O00222 2/20 0.41
GRM6 O15303 2/20 0.41
GRM4 Q14833 4/20 0.39
GRM1 Q13255 3/20 0.39
GRM5 P41594 2/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
MTOR P42345 1/20 0.39
PLCB1 Q9NQ66 1/20 0.39
TSHR P16473 1/20 0.39
SLC6A4 P31645 1/20 0.38
NSD2 O96028 1/20 0.38

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
SCHEMBL28559929 0.87 ARG1 (0.34) ARG1ARG2GRM2GRM3GRM8
SCHEMBL4311566 0.84 SLC6A4 (0.48) ARG1ARG2GRM2GRM3GRM8
SCHEMBL4840309 0.84 SLC6A4 (0.48) ARG1ARG2GRM2GRM3GRM8
SCHEMBL4831160 0.84 SLC6A4 (0.48) ARG1ARG2GRM2GRM3GRM8
SCHEMBL4831107 0.84 SLC6A4 (0.48) ARG1ARG2GRM2GRM3GRM8
SCHEMBL8828098 0.84 SLC6A4 (0.48) ARG1ARG2GRM2GRM3GRM8
SCHEMBL4835859 0.78 SLC6A4 (0.47) ARG1ARG2GRM2GRM3GRM8
SCHEMBL4835740 0.78 SLC6A4 (0.47) ARG1ARG2GRM2GRM3GRM8
SCHEMBL26332225 0.78 SLC6A4 (0.47) ARG1ARG2GRM2GRM3GRM8
SCHEMBL8443472 0.76 ARG1 (0.46) ARG1ARG2GRM2GRM3GRM8

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
CN-112851563-A Synthesis process of N-amino-3-azabicyclo [3,3,0] octane hydrochloride 安徽金鼎医药股份有限公司 2021-05-28 CN claimed
CN-112851563-A Synthesis process of N-amino-3-azabicyclo [3,3,0] octane hydrochloride 安徽金鼎医药股份有限公司 2021-05-28 CN disclosed