SCHEMBL3407543

SCHEMBL3407543

NC[C@H]1CCCC[C@@H]1NC1CCN(C2CCN(C(=O)O)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.35
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
OPRK1 P41145 2/20 0.33
CHRM1 P11229 1/20 0.33
L3MBTL3 Q96JM7 8/20 0.33
SIGMAR1 Q99720 2/20 0.32
MBTD1 Q05BQ5 4/20 0.32
TP53BP1 Q12888 1/20 0.32
L3MBTL4 Q8NA19 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL3407514 0.83 EPHX1 (0.50) L3MBTL1THRBATMCHRM1HRH3
SCHEMBL8001872 0.83 THRB (0.41) L3MBTL1THRBATMOPRK1CHRM1
SCHEMBL4422275 0.75 THRB (0.38) L3MBTL1THRBATMOPRK1
SCHEMBL1134286 0.74 EPHX1 (0.56) L3MBTL1THRBATMKDM4EALDH1A1
SCHEMBL3408089 0.74 OPRK1 (0.36) L3MBTL1THRBATMMEN1KMT2A
SCHEMBL4419803 0.73 MMP2 (0.40) L3MBTL1THRBATMOPRK1
SCHEMBL4420588 0.73 MMP2 (0.40) L3MBTL1THRBATMOPRK1
SCHEMBL5202351 0.72 THRB (0.33) L3MBTL1THRBATMOPRK1
SCHEMBL13623033 0.71 KDM1A (0.31)
SCHEMBL2382220 0.70 THRB (0.56) L3MBTL1THRBATMPOLBHSD17B10

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
EP-2257543-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF 177 AstraZeneca AB (SE) 2010-12-08 EP disclosed
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