SCHEMBL2780219

SCHEMBL2780219

O=C1N(CC2CC2)c2ccc(S(=O)(=O)c3ccc(F)cc3)cc2C12OCCCO2

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.69
ANPEP P15144 7/20 0.50
POLB P06746 2/20 0.43
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL13196498 0.91 CNR2 (0.70) CNR2ANPEPPOLBALDH1A1L3MBTL1
SCHEMBL2781801 0.90 CNR2 (0.65) CNR2ANPEPPOLBALDH1A1L3MBTL1
SCHEMBL2782113 0.90 CNR2 (0.72) CNR2ANPEPPOLBALDH1A1L3MBTL1
SCHEMBL2781067 0.90 CNR2 (0.69) CNR2ANPEPPOLBALDH1A1L3MBTL1
SCHEMBL13196470 0.88 CNR2 (0.61) CNR2ANPEPPOLBALDH1A1HDAC1
SCHEMBL2781046 0.87 CNR2 (0.68) CNR2ANPEPPOLBL3MBTL1HDAC1
SCHEMBL2780330 0.86 CNR2 (0.64) CNR2ANPEPPOLBALDH1A1L3MBTL1
SCHEMBL2781915 0.86 CNR2 (0.65) CNR2ANPEPPOLBALDH1A1L3MBTL1
SCHEMBL2780013 0.85 CNR2 (0.68) CNR2ANPEPPOLBALDH1A1L3MBTL1
SCHEMBL13274022 0.85 CNR2 (0.74) CNR2ANPEPPOLBALDH1A1L3MBTL1

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
WO-2010090680-A1 SUBSTITUTED OXINDOLE CB2 AGONISTS WYETH LLC (US) 2010-08-12 WO claimed
WO-2010090680-A1 SUBSTITUTED OXINDOLE CB2 AGONISTS WYETH LLC (US) 2010-08-12 WO disclosed