SCHEMBL28025816

SCHEMBL28025816

CC(=O)OC(C)(C)C.NC1CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
HPGD P15428 1/20 0.33
DGAT1 O75907 1/20 0.33
BTK Q06187 1/20 0.33
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
EPHX1 P07099 2/20 0.32
RECQL P46063 1/20 0.32
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL27467934 0.90 CHRM2 (0.33) GAACHRM2CHRM1CHRM3
SCHEMBL27467436 0.90 CHRM2 (0.33) GAACHRM2CHRM1CHRM3
Methylamine SCHEMBL28787480 0.82 GAA (0.46) GAACHRM2CHRM1CHRM3DGAT1
SCHEMBL26684 0.82
SCHEMBL28342310 0.82 GAA (0.50) GAACHRM2CHRM1CHRM3DGAT1
SCHEMBL28745990 0.82 GAA (0.50) GAACHRM2CHRM1CHRM3DGAT1
SCHEMBL28358909 0.82 GAA (0.50) GAACHRM2CHRM1CHRM3DGAT1
Cyclopropane SCHEMBL28162716 0.79 GAA (0.44) GAACHRM2CHRM1CHRM3HPGD
SCHEMBL2323786 0.79
SCHEMBL6500325 0.79

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-104837818-B It can be used as the acid amides of pyridine 2 of CB2 activators 霍夫曼-拉罗奇有限公司 2017-07-14 CN disclosed
CN-104837818-A Pyridine-2-amides useful as CB2 agonists HOFFMANN LA ROCHE 2015-08-12 CN disclosed