SCHEMBL2780465

SCHEMBL2780465

O=C1N(CC2CC2)c2ccc(NCc3cccc4ccccc34)cc2C12OCCCO2

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.51
ALDH1A1 P00352 4/20 0.42
TSHR P16473 3/20 0.42
HTT P42858 1/20 0.42
ANPEP P15144 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.39
EDNRA P25101 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
GFER P55789 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
SCHEMBL2781057 0.85 CNR2 (0.58) CNR2ALDH1A1TSHRHTTANPEP
SCHEMBL13196445 0.81 CNR2 (0.57) CNR2ALDH1A1TSHRHTTANPEP
SCHEMBL2781906 0.79 CNR2 (0.54) CNR2ALDH1A1TSHRANPEPPOLB
SCHEMBL2781245 0.79 CNR2 (0.56) CNR2ALDH1A1TSHRHTTANPEP
SCHEMBL13196503 0.79 CNR2 (0.63) CNR2ALDH1A1TSHRHTTANPEP
SCHEMBL2781276 0.79 CNR2 (0.52) CNR2ALDH1A1TSHRHTTANPEP
SCHEMBL2782307 0.79 CNR2 (0.53) CNR2ANPEPPOLBHDAC1HDAC2
SCHEMBL2780655 0.78 CNR2 (0.62) CNR2ALDH1A1TSHRHTTANPEP
SCHEMBL2781513 0.78 CNR2 (0.52) CNR2ANPEPPOLBHDAC1HDAC2
SCHEMBL2781889 0.77 CNR2 (0.54) CNR2ALDH1A1TSHRANPEPL3MBTL1

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