SCHEMBL2638136

SCHEMBL2638136

O=C(NC12CC3CC(CC(C3)C1)C2)c1cccc(F)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.72
KMT2A Q03164 2/20 0.67
ATM Q13315 2/20 0.67
CNR2 P34972 5/20 0.65
MEN1 O00255 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.64
TSHR P16473 2/20 0.58
POLB P06746 1/20 0.56
PKM P14618 1/20 0.56
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
ALOX12 P18054 1/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSD17B10 Q99714 1/20 0.55
STS P08842 1/20 0.54
GRM5 P41594 2/20 0.53
HDAC1 Q13547 1/20 0.53

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
SCHEMBL1579002 0.92 FAAH (0.60) FAAHKMT2AATMCNR2MEN1
SCHEMBL14503290 0.89 FAAH (0.82) FAAHKMT2AATMCNR2MEN1
SCHEMBL2638502 0.87 FAAH (0.55) FAAHKMT2AATMCNR2MEN1
SCHEMBL1578168 0.86 GRM5 (0.55) FAAHKMT2AATMCNR2MEN1
SCHEMBL12672470 0.84 GRM5 (0.53) FAAHKMT2AATMCNR2MEN1
SCHEMBL2638487 0.84 GRM5 (0.53) FAAHKMT2AATMCNR2MEN1
SCHEMBL31490945 0.84 FAAH (1.00) FAAHKMT2AATMCNR2MEN1
SCHEMBL3381777 0.84 FAAH (1.00) FAAHKMT2AATMCNR2MEN1
SCHEMBL16244486 0.83 GRM5 (0.62) FAAHKMT2AATMCNR2MEN1
SCHEMBL1578352 0.83 GRM5 (0.55) FAAHKMT2AATMCNR2MEN1

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