SCHEMBL2782113

SCHEMBL2782113

Cc1ccc(S(=O)(=O)c2ccc3c(c2)C2(OCCCO2)C(=O)N3CC2CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.72
POLB P06746 2/20 0.53
ALDH1A1 P00352 4/20 0.45
TSHR P16473 3/20 0.45
ANPEP P15144 6/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL2780013 0.91 CNR2 (0.68) CNR2POLBALDH1A1TSHRANPEP
SCHEMBL13196498 0.91 CNR2 (0.70) CNR2POLBALDH1A1TSHRANPEP
SCHEMBL2780219 0.90 CNR2 (0.69) CNR2POLBALDH1A1TSHRANPEP
SCHEMBL2781067 0.90 CNR2 (0.69) CNR2POLBALDH1A1ANPEPL3MBTL1
SCHEMBL2780774 0.88 CNR2 (0.66) CNR2POLBALDH1A1TSHRANPEP
SCHEMBL2781046 0.87 CNR2 (0.68) CNR2POLBANPEPLMNAL3MBTL1
SCHEMBL2780330 0.86 CNR2 (0.64) CNR2POLBALDH1A1ANPEPLMNA
SCHEMBL2781227 0.86 CNR2 (0.67) CNR2POLBALDH1A1TSHRANPEP
SCHEMBL13274022 0.85 CNR2 (0.74) CNR2POLBALDH1A1TSHRANPEP
SCHEMBL2779892 0.82 CNR2 (0.59) CNR2POLBALDH1A1TSHRANPEP

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