SCHEMBL2637643

SCHEMBL2637643

COc1cccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1F

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.76
FAAH O00519 9/20 0.76
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
PKM P14618 1/20 0.56
CNR1 P21554 4/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
ALOX12 P18054 1/20 0.56
HTT P42858 1/20 0.56
ATM Q13315 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HSD17B10 Q99714 1/20 0.56
EPHX2 P34913 1/20 0.55

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
SCHEMBL3374041 0.87 CNR2 (0.59) CNR2FAAHMEN1KMT2APKM
SCHEMBL6085774 0.87 CNR2 (1.00) CNR2FAAHMEN1KMT2APKM
SCHEMBL3374035 0.85 CNR2 (0.57) CNR2FAAHMEN1KMT2APKM
SCHEMBL30848467 0.81 CNR2 (0.89) CNR2FAAHMEN1KMT2APKM
SCHEMBL1876596 0.80 GRM5 (0.55) CNR2FAAHMEN1KMT2ACNR1
SCHEMBL15163044 0.77 CNR2 (0.47) CNR2FAAHMEN1KMT2ACNR1
SCHEMBL17416213 0.75 CNR2 (1.00) CNR2FAAHMEN1KMT2ACNR1
SCHEMBL2638344 0.74 CNR2 (0.79) CNR2FAAHMEN1KMT2APKM
SCHEMBL31650667 0.74 KAT6A (0.58) PKMKDM4EHPGDHSD17B10
SCHEMBL22819931 0.74 KDM4E (0.52) CNR2FAAHCNR1KDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011529057-A 2011-12-01 JP claimed
WO-2010011570-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2010-01-28 WO claimed