SCHEMBL28403200

SCHEMBL28403200

CCC[C@H](CI)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CHRM1 P11229 1/20 0.41
AKR1A1 P14550 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GPR84 Q9NQS5 4/20 0.41
CACNA2D1 P54289 2/20 0.38
CACNB3 P54284 1/20 0.38
CACNA1C Q13936 1/20 0.38
PGR P06401 1/20 0.38
HTR2B P41595 1/20 0.38
CACNA2D2 Q9NY47 1/20 0.38
FFAR3 O14843 2/20 0.35

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
SCHEMBL28406886 1.00 ADRA1A (0.41) ADRA1AHDAC1HDAC2TDP1CHRM1
SCHEMBL18271805 1.00 ADRA1A (0.41) ADRA1AHDAC1HDAC2TDP1CHRM1
Hydrochloric Acid SCHEMBL28620053 0.98 GPR84 (0.39) ADRA1AHDAC1HDAC2TDP1CHRM1
SCHEMBL967149 0.85 ADRA1A (0.48) ADRA1AHDAC1HDAC2TDP1CHRM1
SCHEMBL1335604 0.85 ADRA1A (0.48) ADRA1AHDAC1HDAC2TDP1CHRM1
SCHEMBL11294180 0.83 ADRA1A (0.46) ADRA1AHDAC1HDAC2TDP1CHRM1
SCHEMBL940383 0.81 ADRA1A (0.44) ADRA1AHDAC1HDAC2TDP1CHRM1
SCHEMBL28647371 0.80 TSHR (0.37) ADRA1AHDAC1HDAC2TDP1CHRM1
SCHEMBL2579093 0.80
SCHEMBL5078842 0.79 ADRA1A (0.42) ADRA1AHDAC1HDAC2TDP1CHRM1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111122736-B Method for detecting enantiomer in intermediate of brivaracetam 北京鑫开元医药科技有限公司海南分公司 2021-03-12 CN claimed
CN-111122736-A Method for detecting enantiomer in intermediate of brivaracetam 北京鑫开元医药科技有限公司海南分公司 2020-05-08 CN claimed
CN-111122736-B Method for detecting enantiomer in intermediate of brivaracetam 北京鑫开元医药科技有限公司海南分公司 2021-03-12 CN disclosed
CN-111122736-B Method for detecting enantiomer in intermediate of brivaracetam 北京鑫开元医药科技有限公司海南分公司 2021-03-12 CN disclosed
CN-111122736-A Method for detecting enantiomer in intermediate of brivaracetam 北京鑫开元医药科技有限公司海南分公司 2020-05-08 CN disclosed
CN-111122736-A Method for detecting enantiomer in intermediate of brivaracetam 北京鑫开元医药科技有限公司海南分公司 2020-05-08 CN disclosed