SCHEMBL8712781

SCHEMBL8712781

O[C@@H]1CC[C@H](Oc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.53
SLC6A3 Q01959 3/20 0.53
SLC6A4 P31645 2/20 0.52
HRH1 P35367 1/20 0.50
FFAR4 Q5NUL3 5/20 0.43
CHEK2 O96017 1/20 0.40
EPHX2 P34913 1/20 0.39
DRD2 P14416 3/20 0.39
DRD4 P21917 3/20 0.39
DRD3 P35462 3/20 0.39
FURIN P09958 2/20 0.39
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38

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
SCHEMBL8707560 1.00 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4HRH1FFAR4
SCHEMBL25369234 1.00 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4HRH1FFAR4
SCHEMBL6573174 0.89 NAAA (0.47) SLC6A2SLC6A3SLC6A4HRH1CHEK2
SCHEMBL5390747 0.89 NAAA (0.47) SLC6A2SLC6A3SLC6A4HRH1CHEK2
SCHEMBL5375027 0.89 NAAA (0.47) SLC6A2SLC6A3SLC6A4HRH1CHEK2
SCHEMBL5375025 0.89 NAAA (0.47) SLC6A2SLC6A3SLC6A4HRH1CHEK2
SCHEMBL12544887 0.88 HRH1 (0.59) SLC6A2SLC6A3SLC6A4HRH1FFAR4
SCHEMBL29856 0.80 HRH1 (0.71) SLC6A2SLC6A3SLC6A4HRH1EPHX2
SCHEMBL6575789 0.79 FURIN (0.46) SLC6A2SLC6A3SLC6A4HRH1FFAR4
SCHEMBL5383373 0.79 FURIN (0.46) SLC6A2SLC6A3SLC6A4HRH1FFAR4

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-0693054-B1 CYCLOALKYLHYDROXYUREAS AND THEIR USE AS LIPOXYGENASE INHIBITORS PFIZER (US) 1998-06-10 EP disclosed
US-5681858-A Cycloalkyl hydroxyureas PFIZER INC. (US) 1997-10-28 US disclosed