SCHEMBL4537550

SCHEMBL4537550

O=C(NCCC1CCCN1S(=O)(=O)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.56
PSEN1 P49768 2/20 0.53
PSEN2 P49810 2/20 0.53
APH1B Q8WW43 2/20 0.53
NCSTN Q92542 2/20 0.53
APH1A Q96BI3 2/20 0.53
PSENEN Q9NZ42 2/20 0.53
DRD2 P14416 2/20 0.50
DRD4 P21917 2/20 0.50
RAB9A P51151 1/20 0.45
HTR7 P34969 1/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.45
POLB P06746 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL4537477 0.90 NCOA1 (0.53) PAX8RAB9A
SCHEMBL4537510 0.90 RAB9A (0.56) PAX8RAB9AHTR7LMNAALDH1A1
SCHEMBL4542333 0.90 PSEN1 (0.51) PAX8PSEN1PSEN2APH1BNCSTN
SCHEMBL4538787 0.90 PSEN1 (0.51) PAX8PSEN1PSEN2APH1BNCSTN
SCHEMBL4542139 0.89 PAX8 (0.45) PAX8DRD2DRD4RAB9AHTR7
SCHEMBL4536836 0.87 BRD4 (0.55) PAX8RAB9AALDH1A1
SCHEMBL4535933 0.87 PSEN1 (0.56) PAX8PSEN1PSEN2APH1BNCSTN
SCHEMBL4531591 0.84 DRD2 (0.42) DRD2DRD4
SCHEMBL4535463 0.83 HTR7 (0.55) DRD2RAB9AHTR7NPSR1
SCHEMBL4537553 0.82 PAX8 (0.58) PAX8PSEN1PSEN2APH1BNCSTN

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