SCHEMBL2780834

SCHEMBL2780834

O=C1N(CC2CC2)c2ccc(C(O)c3ccc(Cl)cc3C(F)(F)F)cc2C12OCCCO2

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.47
ANPEP P15144 6/20 0.47
POLB P06746 2/20 0.42
HDAC1 Q13547 4/20 0.41
HDAC2 Q92769 4/20 0.41
KDM4E B2RXH2 1/20 0.39
CRHR1 P34998 1/20 0.37
HDAC3 O15379 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
SCHEMBL2780575 0.81 CNR2 (0.50) CNR2ANPEPPOLBHDAC1HDAC2
SCHEMBL13196415 0.79 CNR2 (0.56) CNR2ANPEPPOLB
SCHEMBL2781759 0.79 CNR2 (0.54) CNR2ANPEPPOLB
SCHEMBL2779726 0.78 LMNA (0.48) ANPEP
SCHEMBL2781388 0.78 CNR2 (0.52) CNR2ANPEPPOLB
SCHEMBL2781067 0.74 CNR2 (0.69) CNR2ANPEPPOLBHDAC1HDAC2
SCHEMBL2780605 0.73 CNR2 (0.64) CNR2ANPEPPOLBHDAC1HDAC2
SCHEMBL13196500 0.72 CNR2 (0.52) CNR2ANPEPPOLBCRHR1
SCHEMBL2781149 0.72 CNR2 (0.53) CNR2ANPEPPOLBHDAC1HDAC2
SCHEMBL2780539 0.72 CNR2 (0.53) CNR2ANPEPPOLBHDAC1HDAC2

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