SCHEMBL8005306

SCHEMBL8005306

CNC[C@H]1CCCC[C@@H]1NC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.45
THRB P10828 1/20 0.45
ATM Q13315 1/20 0.45
HPGD P15428 1/20 0.44
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
EPHX2 P34913 2/20 0.40
RECQL P46063 1/20 0.40
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
PARP1 P09874 2/20 0.39
GPR119 Q8TDV5 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
SCHEMBL4103071 0.88 EPHX1 (0.56) EPHX1L3MBTL1THRBATMHPGD
SCHEMBL1134286 0.88 EPHX1 (0.56) EPHX1L3MBTL1THRBATMHPGD
SCHEMBL4103070 0.88 EPHX1 (0.56) EPHX1L3MBTL1THRBATMHPGD
SCHEMBL3403417 0.88 EPHX1 (0.56) EPHX1L3MBTL1THRBATMHPGD
SCHEMBL1929266 0.85 EPHX1 (0.54) EPHX1L3MBTL1THRBATMHPGD
SCHEMBL1928972 0.83 EPHX1 (0.52) EPHX1L3MBTL1THRBATMHPGD
SCHEMBL3407514 0.81 EPHX1 (0.50) EPHX1L3MBTL1THRBATMHPGD
SCHEMBL8006120 0.81 EPHX1 (0.60) EPHX1L3MBTL1THRBATMHPGD
SCHEMBL3409077 0.81 EPHX1 (0.60) EPHX1L3MBTL1THRBATMHPGD
SCHEMBL1134425 0.81 EPHX1 (0.60) EPHX1L3MBTL1THRBATMHPGD

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-2009108117-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF 177 ASTRAZENECA AB (SE) 2009-09-03 WO disclosed