SCHEMBL6161454

SCHEMBL6161454

Clc1ccc(OC2=CCNC=[C]2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.40
HAO1 Q9UJM8 1/20 0.39
SLC6A4 P31645 12/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KMO O15229 2/20 0.35
HTR2A P28223 11/20 0.34
KCNH2 Q12809 11/20 0.34
ADAMTS5 Q9UNA0 2/20 0.33
FFAR1 O14842 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
SCHEMBL21820786 0.69 HSP90AA1 (0.71) HSP90AA1HAO1SLC6A4SLC6A2SLC6A3
SCHEMBL6161007 0.66 HSP90AA1 (0.40) HSP90AA1HAO1SLC6A4SLC6A2SLC6A3
SCHEMBL26623383 0.64 HSP90AA1 (0.48) HSP90AA1HAO1SLC6A4SLC6A2SLC6A3
SCHEMBL11171271 0.64 SLC6A4 (0.42) HSP90AA1HAO1SLC6A4SLC6A2SLC6A3
SCHEMBL10354976 0.63 HSP90AA1 (0.57) HSP90AA1HAO1SLC6A4SLC6A2SLC6A3
SCHEMBL693602 0.61 HSP90AA1 (0.55) HSP90AA1HAO1SLC6A4SLC6A2SLC6A3
SCHEMBL10614755 0.60 KMO (0.62) HSP90AA1HAO1SLC6A4SLC6A2SLC6A3
SCHEMBL26623310 0.60 HSP90AA1 (0.44) HSP90AA1HAO1SLC6A4SLC6A2SLC6A3
SCHEMBL10830336 0.60 HSP90AA1 (0.44) HSP90AA1HAO1SLC6A4SLC6A2SLC6A3
SCHEMBL26623500 0.59 HSP90AA1 (0.43) HSP90AA1HAO1SLC6A4SLC6A2SLC6A3

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-1377550-B9 PHENYL HETEROCYCLYL ETHER DERIVATIVES AS SEROTONIN RE-UPTAKE INHIBITORS PFIZER LTD (GB) 2005-11-23 EP disclosed
EP-1377550-B1 PHENYL HETEROCYCLYL ETHER DERIVATIVES AS SEROTONIN RE-UPTAKE INHIBITORS PFIZER LTD (GB) 2004-11-03 EP disclosed