SCHEMBL2779901

SCHEMBL2779901

COc1ccc(Oc2ccc3c(c2)C2(OCCCO2)C(=O)N3CC2CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.59
HDAC2 Q92769 1/20 0.48
POLB P06746 3/20 0.46
OPRM1 P35372 1/20 0.46
ALDH1A1 P00352 5/20 0.45
ANPEP P15144 4/20 0.42
TSHR P16473 1/20 0.41
BACE1 P56817 2/20 0.41
CTSD P07339 1/20 0.41
CTSE P14091 1/20 0.41
CRHR1 P34998 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 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
SCHEMBL13196430 0.91 CNR2 (0.57) CNR2POLBALDH1A1ANPEPTSHR
SCHEMBL2781041 0.85 CNR2 (0.54) CNR2HDAC2POLBALDH1A1ANPEP
SCHEMBL2781889 0.84 CNR2 (0.54) CNR2HDAC2POLBOPRM1ALDH1A1
SCHEMBL2762366 0.82 CNR2 (0.49) CNR2HDAC2POLBOPRM1ALDH1A1
SCHEMBL2779752 0.79 CNR2 (0.64) CNR2POLBALDH1A1ANPEPTSHR
SCHEMBL2783027 0.79 CNR2 (0.64) CNR2POLBALDH1A1ANPEPTSHR
SCHEMBL13196431 0.79 ANPEP (0.65) CNR2HDAC2POLBANPEP
SCHEMBL2780605 0.79 CNR2 (0.64) CNR2HDAC2POLBANPEP
SCHEMBL13196423 0.78 CNR2 (0.63) CNR2POLBALDH1A1ANPEPTSHR
SCHEMBL13196503 0.78 CNR2 (0.63) CNR2HDAC2POLBALDH1A1ANPEP

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 3 patents. 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
WO-2010090680-A1 SUBSTITUTED OXINDOLE CB2 AGONISTS WYETH LLC (US) 2010-08-12 WO disclosed
WO-2010090680-A1 SUBSTITUTED OXINDOLE CB2 AGONISTS WYETH LLC (US) 2010-08-12 WO disclosed