SCHEMBL3468221

SCHEMBL3468221

CC(C)(C)COS(=O)(=O)c1ccc2c(c1)C1(OCCCO1)C(=O)N2CC1CC1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.68
POLB P06746 2/20 0.43
ANPEP P15144 6/20 0.40
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PKM P14618 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
SCHEMBL3478621 0.85 CNR2 (0.48) CNR2POLBANPEPALDH1A1LMNA
SCHEMBL13274022 0.83 CNR2 (0.74) CNR2POLBANPEPALDH1A1LMNA
SCHEMBL2782113 0.81 CNR2 (0.72) CNR2POLBANPEPALDH1A1LMNA
SCHEMBL13196498 0.80 CNR2 (0.70) CNR2POLBANPEPALDH1A1LMNA
SCHEMBL13273809 0.80 CNR2 (0.55) CNR2POLBANPEPALDH1A1LMNA
SCHEMBL2781227 0.80 CNR2 (0.67) CNR2POLBANPEPALDH1A1LMNA
SCHEMBL2782200 0.80 CNR2 (0.64) CNR2POLBANPEPALDH1A1LMNA
SCHEMBL2781067 0.79 CNR2 (0.69) CNR2POLBANPEPALDH1A1L3MBTL1
SCHEMBL2780219 0.79 CNR2 (0.69) CNR2POLBANPEPALDH1A1TSHR
SCHEMBL2780013 0.79 CNR2 (0.68) CNR2POLBANPEPALDH1A1LMNA

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-2010077839-A1 SUBSTITUTED OXINDOL CB2 AGONISTS FOR PAIN TREATMENT WYETH LLC (FORMERLY KNOWN AS WYETH) (US) 2010-07-08 WO disclosed