SCHEMBL2780655

SCHEMBL2780655

O=C1N(CC2CC2)c2ccc(S(=O)(=O)c3cccc4ccccc34)cc2C12OCCCO2

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
ANPEP P15144 3/20 0.38
ALDH1A1 P00352 4/20 0.38
TSHR P16473 4/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HTR6 P50406 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL2781227 0.87 CNR2 (0.67) CNR2L3MBTL1POLBANPEPALDH1A1
SCHEMBL2781915 0.87 CNR2 (0.65) CNR2L3MBTL1POLBANPEPALDH1A1
SCHEMBL2780580 0.87 CNR2 (0.65) CNR2L3MBTL1POLBANPEPALDH1A1
SCHEMBL13196498 0.86 CNR2 (0.70) CNR2L3MBTL1POLBANPEPALDH1A1
SCHEMBL2782200 0.85 CNR2 (0.64) CNR2L3MBTL1POLBANPEPALDH1A1
SCHEMBL2780013 0.82 CNR2 (0.68) CNR2L3MBTL1POLBANPEPALDH1A1
SCHEMBL2780330 0.81 CNR2 (0.64) CNR2L3MBTL1POLBANPEPALDH1A1
SCHEMBL2779905 0.81 CNR2 (0.65) CNR2L3MBTL1POLBANPEPALDH1A1
SCHEMBL2781801 0.81 CNR2 (0.65) CNR2L3MBTL1POLBANPEPALDH1A1
SCHEMBL2781067 0.81 CNR2 (0.69) CNR2L3MBTL1POLBANPEPALDH1A1

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 1 patent. 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