SCHEMBL17519901

SCHEMBL17519901

Nc1ccc(CNC[C@H](O)c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.71
KDM4E B2RXH2 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
PLA2G1B P04054 1/20 0.60
POLB P06746 1/20 0.60
ATG4B Q9Y4P1 1/20 0.60
SLC16A3 O15427 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
AOC3 Q16853 3/20 0.53
BCHE P06276 1/20 0.52
DNM1 Q05193 1/20 0.52
ADRB2 P07550 1/20 0.50
ANPEP P15144 1/20 0.50
ERAP2 Q6P179 1/20 0.50
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL1849603 0.88 LMNA (0.77) LMNAKDM4EL3MBTL1PLA2G1BPOLB
SCHEMBL7278068 0.88 LMNA (0.77) LMNAKDM4EL3MBTL1PLA2G1BPOLB
SCHEMBL2289990 0.88 LMNA (0.77) LMNAKDM4EL3MBTL1PLA2G1BPOLB
SCHEMBL16596122 0.84 ADRB2 (0.71) KDM4EL3MBTL1ADRB2
SCHEMBL7118929 0.84 ADRB2 (0.71) KDM4EL3MBTL1ADRB2
SCHEMBL28582068 0.84 ADRB2 (0.71) KDM4EL3MBTL1ADRB2
SCHEMBL4351380 0.83 LMNA (0.71) LMNAKDM4EL3MBTL1PLA2G1BPOLB
Hydrochloric Acid SCHEMBL1405554 0.83 ADRB2 (0.69) LMNAKDM4EL3MBTL1ADRB2
Hydrochloric Acid SCHEMBL28435050 0.83 ADRB2 (0.69) LMNAKDM4EL3MBTL1ADRB2
Hydrochloric Acid SCHEMBL28662709 0.83 ADRB2 (0.69) LMNAKDM4EL3MBTL1ADRB2

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-2016024284-A2 A PROCESS FOR THE PREPARATION OF MIRABEGRON AND ITS INTERMEDIATES WANBURY LTD. (IN) 2016-02-18 WO disclosed