SCHEMBL3412261

SCHEMBL3412261

O=C(O)N1CCC(N2C(=O)OC[C@@H]3CCCC[C@H]32)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 3/20 0.33
MBTD1 Q05BQ5 1/20 0.33
OPRM1 P35372 3/20 0.32
OPRL1 P41146 3/20 0.32
OPRK1 P41145 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
GRM5 P41594 1/20 0.32
VNN1 O95497 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30

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
SCHEMBL3412257 1.00 L3MBTL3 (0.33) L3MBTL3MBTD1OPRM1OPRL1OPRK1
SCHEMBL3405677 1.00 L3MBTL3 (0.33) L3MBTL3MBTD1OPRM1OPRL1OPRK1
SCHEMBL3409386 0.95 L3MBTL3 (0.39) L3MBTL3MBTD1OPRM1OPRL1OPRK1
SCHEMBL3412748 0.81 EPHX1 (0.44)
SCHEMBL3409023 0.81 EPHX1 (0.44)
SCHEMBL3412749 0.81 EPHX1 (0.44)
SCHEMBL3407790 0.80 CHRM1 (0.37) L3MBTL3MBTD1OPRM1OPRL1OPRK1
SCHEMBL3407654 0.78 CHRM2 (0.42) L3MBTL3MBTD1OPRM1OPRL1OPRK1
SCHEMBL3405961 0.78 CHRM1 (0.50) L3MBTL1
SCHEMBL3410336 0.77 OPRM1 (0.42) OPRM1OPRK1

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