SCHEMBL4537085

SCHEMBL4537085

CN(Cc1ccc(Cl)nc1Cl)C(CO)c1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.36
AOC3 Q16853 1/20 0.36
SLC6A2 P23975 5/20 0.35
SLC6A4 P31645 5/20 0.35
ACP3 P15309 1/20 0.33
OPRD1 P41143 1/20 0.33
SLC6A3 Q01959 1/20 0.33
OPRL1 P41146 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
RPS6KB1 P23443 1/20 0.32

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
SCHEMBL4543601 0.86 AOC3 (0.34) OPRM1AOC3
SCHEMBL3703345 0.79 RAB9A (0.39) AOC3SLC6A2SLC6A4ADRB2ADRB1
SCHEMBL2578171 0.74 PYCR1 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL4537987 0.72 CTSA (0.33)
SCHEMBL2568706 0.70 MEN1 (0.42) SLC6A2SLC6A4ACP3SLC6A3RECQL
SCHEMBL3707187 0.68 RAB9A (0.50) AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL3717492 0.68 RAB9A (0.50) AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL3715630 0.68 RAB9A (0.50) AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL2580843 0.67 PYCR1 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL3705816 0.65 AOC3 (0.50) AOC3

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-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed