SCHEMBL8554976

SCHEMBL8554976

C[C@H]1C[C@@](O)(c2cccc(I)c2)CCO1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
SLC6A4 P31645 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
ALOX5 P09917 1/20 0.30
CHRNA1 P02708 1/20 0.30
CHRNG P07510 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
CHRND Q07001 1/20 0.30

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
SCHEMBL27540488 1.00 HCAR3 (0.34) HCAR3HCAR2SLC6A2SLC6A3SLC6A4
SCHEMBL12638735 0.84 OPRK1 (0.41) SLC6A2SLC6A4
SCHEMBL9229582 0.84 OPRK1 (0.41) SLC6A2SLC6A4
SCHEMBL8556195 0.83 SLC6A2 (0.45) HCAR3HCAR2SLC6A2SLC6A3SLC6A4
SCHEMBL8557006 0.82 HCAR3 (0.32) HCAR3HCAR2SLC6A2SLC6A3SLC6A4
SCHEMBL8557008 0.82 HCAR3 (0.32) HCAR3HCAR2SLC6A2SLC6A3SLC6A4
SCHEMBL7814915 0.77 KMT2A (0.35) HCAR3HCAR2SLC6A3SLC6A4
SCHEMBL7802557 0.77 KMT2A (0.35) HCAR3HCAR2SLC6A3SLC6A4
SCHEMBL7802560 0.77 KMT2A (0.35) HCAR3HCAR2SLC6A3SLC6A4
SCHEMBL9380130 0.76 ALOX5 (0.33) ALOX5

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623614-B1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1998-02-25 EP disclosed
US-5512594-A ADMINISTERING TO TREAT A MEDICAL CONDITION MEDIATED BY ONE OR MORE LEUKOTRIENES ZENECA LIMITED (GB) 1996-04-30 US disclosed
EP-0702678-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-03-27 EP disclosed
US-5478842-A Antiinflammatory agents, antiallergens, drugs for treatment of diseases mediated by leukotrienes ZENECA LIMITED (GB) 1995-12-26 US disclosed
WO-1995030668-A1 CYCLIC ETHER DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING THEM ZENECA LIMITED (GB) 1995-11-16 WO disclosed
WO-1994029291-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1994-12-22 WO disclosed
WO-1994025453-A1 4-ARYL-4-HYDROXY-TETRAHYDROPYRANS AND 3-ARYL-3-HYDROXY-TETRAHYDROFURANS AS 5-LIPOXYGENASE INHIBITORS ZENECA LIMITED (GB) 1994-11-10 WO disclosed
EP-0623614-A1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1994-11-09 EP disclosed