SCHEMBL28601522

SCHEMBL28601522

CCCC(C)C(CN1CCCC1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 3/20 0.39
ALDH1A1 P00352 4/20 0.38
DRD3 P35462 3/20 0.37
CHRM3 P20309 2/20 0.37
CHRM2 P08172 2/20 0.37
ADRA2B P18089 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
CYP2D6 P10635 1/20 0.37
ADRA2C P18825 1/20 0.37
OPRD1 P41143 1/20 0.37
KCNH2 Q12809 1/20 0.37
CHRM1 P11229 2/20 0.36
AKR1A1 P14550 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL500153 0.78 MEN1 (0.45) ALDH1A1DRD3CHRM3CHRM2ADRA2B
SCHEMBL23898801 0.76 ALDH1A1 (0.43) ALDH1A1DRD3CHRM2ADRA2BSIGMAR1
SCHEMBL23886210 0.76 ALDH1A1 (0.43) ALDH1A1DRD3CHRM2ADRA2BSIGMAR1
SCHEMBL25191941 0.76 ALDH1A1 (0.43) ALDH1A1DRD3CHRM2ADRA2BSIGMAR1
SCHEMBL11805982 0.75 CHRM1 (0.50) SLC6A3ALDH1A1DRD3CHRM3CHRM1
SCHEMBL25187516 0.74 ALDH1A1 (0.42) ALDH1A1DRD3CHRM2ADRA2BSIGMAR1
SCHEMBL25264913 0.74 ALDH1A1 (0.42) ALDH1A1DRD3CHRM2ADRA2BSIGMAR1
SCHEMBL277403 0.73 CHRM1 (0.54) SLC6A3ALDH1A1DRD3CHRM3CHRM1
SCHEMBL15362967 0.72 SLC6A4 (0.37) SLC6A4SLC6A3ALDH1A1DRD3CHRM3
SCHEMBL29008687 0.71 SLC6A3 (0.47) SLC6A4SLC6A3DRD3CHRM3CHRM1

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-113024434-A Preparation method of brivaracetam intermediate 上海科胜药物研发有限公司 2021-06-25 CN disclosed
CN-111333563-A Preparation method of brivaracetam intermediate 上海科胜药物研发有限公司 2020-06-26 CN disclosed