SCHEMBL2781889

SCHEMBL2781889

COc1ccc(CNc2ccc3c(c2)C2(OCCCO2)C(=O)N3CC2CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.54
OPRD1 P41143 3/20 0.47
OPRM1 P35372 3/20 0.47
OPRK1 P41145 2/20 0.47
ALDH1A1 P00352 4/20 0.45
POLB P06746 2/20 0.45
HDAC2 Q92769 1/20 0.44
ANPEP P15144 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40
OPRL1 P41146 1/20 0.40

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
SCHEMBL2781245 0.90 CNR2 (0.56) CNR2ALDH1A1POLBHDAC2ANPEP
SCHEMBL2781057 0.88 CNR2 (0.58) CNR2OPRD1OPRM1OPRK1ALDH1A1
SCHEMBL2779901 0.84 CNR2 (0.59) CNR2OPRM1ALDH1A1POLBHDAC2
SCHEMBL2781009 0.83 CNR2 (0.52) CNR2OPRD1OPRM1OPRK1ALDH1A1
SCHEMBL13196503 0.82 CNR2 (0.63) CNR2ALDH1A1POLBHDAC2ANPEP
SCHEMBL2781513 0.79 CNR2 (0.52) CNR2POLBHDAC2ANPEP
SCHEMBL13196445 0.77 CNR2 (0.57) CNR2ALDH1A1POLBHDAC2ANPEP
SCHEMBL2780465 0.77 CNR2 (0.51) CNR2ALDH1A1POLBHDAC2ANPEP
SCHEMBL13196430 0.75 CNR2 (0.57) CNR2ALDH1A1POLBANPEPLMNA
SCHEMBL2783027 0.74 CNR2 (0.64) CNR2ALDH1A1POLBANPEPL3MBTL1

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