SCHEMBL7469167

SCHEMBL7469167

CC(Oc1cc(Br)cnc1Cl)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.43
CGAS Q8N884 1/20 0.42
MET P08581 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
JAK2 O60674 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP19A1 P11511 3/20 0.37
SLC6A4 P31645 7/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
HTR6 P50406 1/20 0.37
CYP17A1 P05093 2/20 0.35
RORC P51449 1/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A3 Q01959 3/20 0.34
CFTR P13569 1/20 0.34
GOPC Q9HD26 1/20 0.34

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
SCHEMBL30866876 0.86 MET (0.43) LRRK2METJAK2SLC6A4HTR2C
SCHEMBL21512509 0.86 MET (0.43) LRRK2METJAK2SLC6A4HTR2C
SCHEMBL26917273 0.84 MET (0.51) LRRK2CGASMETHDAC1HDAC8
SCHEMBL26916694 0.84 MET (0.51) LRRK2CGASMETHDAC1HDAC8
SCHEMBL29858018 0.84 MET (0.51) LRRK2CGASMETHDAC1HDAC8
SCHEMBL29857612 0.84 MET (0.51) LRRK2CGASMETHDAC1HDAC8
SCHEMBL26916696 0.84 MET (0.51) LRRK2CGASMETHDAC1HDAC8
SCHEMBL29857789 0.79 LRRK2 (0.42) LRRK2CGASHDAC1HDAC8HDAC6
SCHEMBL29857938 0.79 LRRK2 (0.42) LRRK2CGASHDAC1HDAC8HDAC6
SCHEMBL26916891 0.79 LRRK2 (0.42) LRRK2CGASHDAC1HDAC8HDAC6

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-1212319-A2 3-PYRROLIDINYLOXY-3'-PYRIDYL ETHER COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2002-06-12 EP disclosed
WO-2001019817-A2 3-PYRROLIDINYLOXY-3'-PYRIDYL ETHER COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 2001-03-22 WO disclosed