SCHEMBL8438898

SCHEMBL8438898

CCCCCC(N)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.58
ADRB2 P07550 1/20 0.47
SLC6A2 P23975 3/20 0.46
SLC6A3 Q01959 3/20 0.46
SLC6A4 P31645 2/20 0.46
CA2 P00918 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
OPRM1 P35372 1/20 0.40
SCN4A P35499 2/20 0.39

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
SCHEMBL4985324 0.94 SLC2A1 (0.51) SLC2A1ADRB2SLC6A2SLC6A3SLC6A4
SCHEMBL9198692 0.86 ADRB2 (0.52) SLC2A1ADRB2SLC6A2SLC6A3SLC6A4
Ammonia Solution, Strong SCHEMBL386864 0.84 ADRB2 (0.50) SLC2A1ADRB2SLC6A2SLC6A3SLC6A4
SCHEMBL9350707 0.83 SLC2A1 (0.59) SLC2A1SLC6A4CA2OPRM1
SCHEMBL2769246 0.83 ADRB2 (0.45) SLC2A1ADRB2SLC6A2SLC6A3SLC6A4
SCHEMBL8249194 0.83 ADRB2 (0.45) SLC2A1ADRB2SLC6A2SLC6A3SLC6A4
SCHEMBL9439771 0.82 SLC2A1 (0.60) SLC2A1SLC6A4CA2OPRM1
SCHEMBL20697728 0.81 SLC2A1 (0.63) SLC2A1CA2OPRM1
SCHEMBL22129792 0.81 SLC2A1 (0.58) SLC2A1SLC6A4CA2OPRM1
SCHEMBL9043076 0.81 SLC2A1 (0.63) SLC2A1CA2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed