SCHEMBL2826402

SCHEMBL2826402

O=C1N(CC2CC2)c2ccc(S(=O)(=O)Nc3ccccc3)cc2C12OCCCO2

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.66
ANPEP P15144 6/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 4/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL2827517 0.87 CNR2 (0.61) CNR2ANPEPPOLBALDH1A1LMNA
SCHEMBL13196498 0.86 CNR2 (0.70) CNR2ANPEPL3MBTL1TSHRPOLB
SCHEMBL13196445 0.83 CNR2 (0.57) CNR2ANPEPL3MBTL1TSHRPOLB
SCHEMBL13274022 0.83 CNR2 (0.74) CNR2ANPEPL3MBTL1TSHRPOLB
SCHEMBL2780330 0.82 CNR2 (0.64) CNR2ANPEPL3MBTL1POLBALDH1A1
SCHEMBL2781915 0.80 CNR2 (0.65) CNR2ANPEPL3MBTL1TSHRPOLB
SCHEMBL2779905 0.80 CNR2 (0.65) CNR2ANPEPL3MBTL1TSHRPOLB
SCHEMBL2780580 0.80 CNR2 (0.65) CNR2ANPEPL3MBTL1TSHRPOLB
SCHEMBL2781227 0.80 CNR2 (0.67) CNR2ANPEPL3MBTL1TSHRPOLB
SCHEMBL2781067 0.79 CNR2 (0.69) CNR2ANPEPL3MBTL1POLBALDH1A1

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 disclosed