SCHEMBL28088972

SCHEMBL28088972

CC1(COc2ccc(C(=O)O)nc2)COC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 6/20 0.50
ACACB O00763 1/20 0.44
CACNA1H O95180 5/20 0.41
FFAR1 O14842 1/20 0.40
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
CNR2 P34972 1/20 0.39
P4HA1 P13674 1/20 0.39
MIF P14174 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
CHEK1 O14757 1/20 0.39
CHEK2 O96017 1/20 0.39
AKT1 P31749 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 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
SCHEMBL5095969 0.80 ACACB (0.50) ACACBMAPK1CYP3A4PKMALOX15
SCHEMBL23554569 0.77 ACACB (0.40) ACACBCACNA1HCACNA1GCACNA1ICHEK1
SCHEMBL9935890 0.77 ACACB (0.50) ACACBCACNA1HFFAR1CACNA1GCACNA1I
SCHEMBL14152713 0.75 CNR2 (0.61) ACACBCACNA1HCNR2CACNA1GCACNA1I
SCHEMBL17316355 0.74 ACACB (0.54) ACACBCACNA1HFFAR1KDM4ECACNA1G
SCHEMBL1403507 0.74 P4HTM (0.63) P4HTMKDM4EL3MBTL1MAPK1P4HA1
SCHEMBL15262867 0.74 PLA2G2A (0.43) ACACBCACNA1HFFAR1CACNA1GCACNA1I
SCHEMBL30703582 0.73 HPGD (0.43) P4HTMACACBALDH1A1MEN1CYP1A2
SCHEMBL29423325 0.73 CNR2 (0.57) CNR2
SCHEMBL15776479 0.73 CNR2 (0.57) CNR2

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 5 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 claimed
CN-103608332-B Pyridine-2-amides useful as CB2 agonists 霍夫曼-拉罗奇有限公司 2016-09-28 CN claimed
CN-106349156-B It can be used as the pyridine -2- amides of CB2 agonist 霍夫曼-拉罗奇有限公司 2018-12-11 CN disclosed
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