SCHEMBL28119307

SCHEMBL28119307

CCCc1c(C2(O)CCC2)cnc(C(=O)O)c1OC

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRKAB2 O43741 2/20 0.34
▸ PRKAG1 P54619 2/20 0.34
▸ PRKAA2 P54646 2/20 0.34
▸ PRKAA1 Q13131 2/20 0.34
▸ PRKAG3 Q9UGI9 2/20 0.34
▸ PRKAG2 Q9UGJ0 2/20 0.34
▸ PRKAB1 Q9Y478 2/20 0.34
▸ LTB4R Q15722 1/20 0.30
▸ LTB4R2 Q9NPC1 1/20 0.30
▸ KMO O15229 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
SCHEMBL28026221 0.76 PPARA (0.38) KMO
SCHEMBL28119309 0.74 ALDH1A1 (0.36) —
SCHEMBL27938376 0.72 ASPH (0.36) KMO
SCHEMBL28260791 0.70 LTB4R (0.34) LTB4RLTB4R2KMO
SCHEMBL22283908 0.66 KMO (0.37) KMO
SCHEMBL28118987 0.64 KDM4E (0.39) KMO
SCHEMBL997135 0.63 GABRP (0.44) —
SCHEMBL31277881 0.61 HCAR2 (0.41) —
SCHEMBL8882970 0.61 KMT2A (0.36) KMO
SCHEMBL27947586 0.61 CNR2 (0.34) —

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 3 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-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
Send feedback