SCHEMBL28088993

SCHEMBL28088993

O=COCc1ccc(OCC2CC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 1/20 0.41
PARP15 Q460N3 4/20 0.41
PARP10 Q53GL7 4/20 0.41
PARP2 Q9UGN5 2/20 0.41
CYP4F2 P78329 3/20 0.39
CYP4A11 Q02928 3/20 0.39
HPGD P15428 2/20 0.38
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL2136549 0.76 PARP15 (0.46) ACACAPARP15PARP10PARP2CYP4F2
SCHEMBL28114840 0.76 NAAA (0.40)
SCHEMBL17214614 0.76 PARP15 (0.46) PARP15PARP10PARP2CYP4F2CYP4A11
SCHEMBL20489961 0.75 PARP15 (0.45) PARP15PARP10PARP2CYP4F2CYP4A11
SCHEMBL28088981 0.75 BRD4 (0.35)
SCHEMBL28089009 0.74 MBOAT4 (0.38) CHRNA7
SCHEMBL28129456 0.73 MBOAT4 (0.41) HPGD
SCHEMBL28119350 0.72 CNR2 (0.43)
SCHEMBL27936928 0.71 ESR1 (0.42)
SCHEMBL28259334 0.71 ALDH1A1 (0.44)

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-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