SCHEMBL4539820

SCHEMBL4539820

COc1cccc(S(=O)(=O)N2CCCCC2CNC(=O)[C]2CCCCCCC2)c1.[CH2].[CH2]

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.67
HTR7 P34969 2/20 0.55
TMEM97 Q5BJF2 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
NPC1 O15118 1/20 0.48
PAX8 Q06710 1/20 0.47
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
KCNQ1 P51787 1/20 0.47

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
SCHEMBL4536852 0.88 HTR1A (0.52) RAB9AHTR7
SCHEMBL4530970 0.87 HTR7 (0.52) RAB9AHTR7TMEM97
SCHEMBL4540631 0.86 RAB9A (0.51) RAB9APAX8HCRTR1HCRTR2
SCHEMBL4538143 0.86 RAB9A (0.50) RAB9AHCRTR1HCRTR2
SCHEMBL4537566 0.85 RAB9A (0.57) RAB9ANPC1
SCHEMBL4533331 0.85 HTR1A (0.56) RAB9AHTR7
SCHEMBL4537171 0.84 RAB9A (0.51) RAB9ANPC1PAX8
SCHEMBL4537004 0.84 RAB9A (0.49) RAB9APAX8
SCHEMBL4542351 0.84 RAB9A (0.49) RAB9ANPC1PAX8
SCHEMBL4539816 0.84 RAB9A (0.60) RAB9AHTR7TMEM97SIGMAR1NPC1

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 1 patent. 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