SCHEMBL28088924

SCHEMBL28088924

NC(=O)C1(c2nccs2)COC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.38
ALDH1A1 P00352 2/20 0.34
BACE1 P56817 1/20 0.33
TSHR P16473 1/20 0.32
NOS1 P29475 1/20 0.32
HSD17B10 Q99714 1/20 0.32
OPRL1 P41146 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EPHX2 P34913 2/20 0.31
CNR1 P21554 1/20 0.31
ALOX15 P16050 1/20 0.30

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
SCHEMBL2040851 0.84 LMNA (0.39) ALDH1A1TSHRNOS1HSD17B10OPRL1
SCHEMBL3797646 0.81 ALDH1A1 (0.35) ALDH1A1TSHRNOS1HSD17B10OPRL1
SCHEMBL2053963 0.81 LMNA (0.36) ALDH1A1TSHRNOS1HSD17B10OPRL1
SCHEMBL2016931 0.80 LMNA (0.38) ALDH1A1TSHRNOS1HSD17B10OPRL1
SCHEMBL2037379 0.79 PDE4A (0.34) ALDH1A1TSHRNOS1HSD17B10OPRL1
SCHEMBL2640915 0.73 ALDH1A1 (0.38) CNR2ALDH1A1BACE1TSHRNOS1
SCHEMBL2053631 0.73 OPRL1 (0.44) CNR2ALDH1A1BACE1TSHRNOS1
Hydrochloric Acid SCHEMBL14152305 0.72 ALDH1A1 (0.37) CNR2ALDH1A1BACE1TSHRNOS1
SCHEMBL2035761 0.72 OPRL1 (0.40) ALDH1A1TSHROPRL1LMNAL3MBTL1
SCHEMBL12133618 0.69 CNR2 (0.39) CNR2ALDH1A1BACE1TSHRNOS1

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 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