SCHEMBL4537066

SCHEMBL4537066

O=C(NCC1CCCN1S(=O)(=O)c1ccccc1Cl)N[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
HSD11B1 P28845 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL4534767 0.97 FAAH (0.41) FAAHHSD11B1EPHX2
SCHEMBL4541794 0.91 HSD11B1 (0.54) HSD11B1
SCHEMBL4541720 0.88 POLB (0.43)
SCHEMBL4530195 0.88 NPC1 (0.47)
SCHEMBL4539833 0.88 HSD11B1 (0.53) HSD11B1
SCHEMBL4542462 0.86 RAB9A (0.46) HSD11B1
SCHEMBL4542349 0.85 RAB9A (0.54)
SCHEMBL4539656 0.85 POLB (0.40) EPHX2
SCHEMBL4541740 0.85 HCRTR1 (0.51)
SCHEMBL4537322 0.84 PSEN1 (0.51)

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
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO claimed
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed