SCHEMBL4543050

SCHEMBL4543050

O=C(CC1CCCCN1S(=O)(=O)c1cccc(Cl)c1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 7/20 0.52
HSD11B1 P28845 1/20 0.48
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL4536998 0.97 BDKRB1 (0.49) BDKRB1HSD11B1HCRTR1HCRTR2KMT2A
SCHEMBL4537661 0.89 HTR1A (0.48) BDKRB1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4541294 0.88 PSEN1 (0.56) BDKRB1ALDH1A1PSEN1PSEN2APH1B
SCHEMBL4537242 0.88 NPC1 (0.53) BDKRB1HSD11B1KMT2ANPC1RAB9A
SCHEMBL4539341 0.87 EPHX1 (0.48) BDKRB1HSD11B1RAB9ALMNATSHR
SCHEMBL4535072 0.86 BDKRB1 (0.56) BDKRB1KMT2AMEN1
SCHEMBL4541345 0.86 POLB (0.44) BDKRB1HSD11B1KMT2ANPC1RAB9A
SCHEMBL4535231 0.86 HTR7 (0.52) BDKRB1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4542494 0.86 HTR7 (0.52) BDKRB1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4542928 0.85 LMNA (0.55) BDKRB1HCRTR1HCRTR2ALDH1A1PSEN1

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