SCHEMBL3377291

SCHEMBL3377291

CC(=O)COc1cccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.72
FAAH O00519 6/20 0.72
KMT2A Q03164 2/20 0.72
MEN1 O00255 1/20 0.72
ATM Q13315 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.54
PKM P14618 1/20 0.53
EPHX2 P34913 5/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HPGD P15428 1/20 0.47

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
SCHEMBL3375838 0.88 FAAH (0.56) CNR2FAAHKMT2AMEN1ATM
SCHEMBL2638506 0.88 FAAH (0.75) CNR2FAAHKMT2AMEN1ATM
SCHEMBL3378038 0.86 FAAH (0.54) CNR2FAAHKMT2AMEN1ATM
SCHEMBL1881827 0.81 GRM5 (0.53) CNR2FAAHKMT2AMEN1ATM
SCHEMBL14503290 0.80 FAAH (0.82) CNR2FAAHKMT2AMEN1ATM
SCHEMBL2638957 0.80 KMT2A (1.00) CNR2FAAHKMT2AMEN1ATM
SCHEMBL19354776 0.77 FAAH (0.72) CNR2FAAHKMT2AMEN1ATM
SCHEMBL1578586 0.77 CNR2 (0.85) CNR2FAAHKMT2AMEN1ATM
SCHEMBL3375702 0.77 FAAH (0.58) CNR2FAAHKMT2AMEN1ATM
SCHEMBL13333538 0.76 ALDH1A1 (0.53) CNR2FAAHKMT2AMEN1ATM

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-2010011570-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2010-01-28 WO disclosed