SCHEMBL28089225

SCHEMBL28089225

CCC(CCN)C(=O)OC

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.64
CA1 P00915 4/20 0.64
GABRR1 P24046 2/20 0.41
ZDHHC7 Q9NXF8 1/20 0.37
CPB2 Q96IY4 1/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.35
BIRC2 Q13490 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 1/20 0.34
DPP7 Q9UHL4 1/20 0.34

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
Hydrochloric Acid SCHEMBL28262170 0.98 CA2 (0.62) CA2CA1GABRR1ZDHHC7CPB2
SCHEMBL9597159 0.88 CA2 (0.71) CA2CA1ZDHHC7CPB2BIRC2
SCHEMBL21052458 0.86 CA2 (0.75) CA2CA1ZDHHC7USP2TSHR
SCHEMBL15442726 0.84 CA2 (0.67) CA2CA1ZDHHC7USP2TSHR
Hydrochloric Acid SCHEMBL4411000 0.83 CA2 (0.65) CA2CA1ZDHHC7CPB2MAPK1
Hydrochloric Acid SCHEMBL4334151 0.83 CA2 (0.65) CA2CA1ZDHHC7CPB2MAPK1
SCHEMBL15592501 0.83 CPB2 (0.53) CA2CA1GABRR1CPB2KMT2A
SCHEMBL3989203 0.82
SCHEMBL3989206 0.82
SCHEMBL17617129 0.82 CA2 (0.76) CA2CA1ZDHHC7USP2TSHR

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-106349156-A Pyridine-2-amides capable of being used as CB2 agonist 霍夫曼-拉罗奇有限公司 2017-01-25 CN disclosed
CN-103608332-B Pyridine-2-amides useful as CB2 agonists 霍夫曼-拉罗奇有限公司 2016-09-28 CN disclosed