SCHEMBL4542906

SCHEMBL4542906

O=C(NCC1CCCCN1S(=O)(=O)c1cc(Cl)ccc1F)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
POLB P06746 1/20 0.40
HSD11B1 P28845 2/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
P2RX7 Q99572 1/20 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
SCHEMBL4534371 0.91 DRD2 (0.41) DRD2DRD4PSEN1PSEN2APH1B
SCHEMBL4537224 0.90 P2RX7 (0.43) DRD2DRD4POLBPSEN1PSEN2
SCHEMBL4542326 0.88 RAB9A (0.47) MAPTDRD2POLB
SCHEMBL4530293 0.87 P2RX7 (0.44) DRD2DRD4POLBP2RX7
SCHEMBL4542596 0.86 MAPT (0.44) TP53MAPTPSEN1PSEN2APH1B
SCHEMBL8069525 0.86 EPHX2 (0.45) POLBHSD11B1
SCHEMBL4535933 0.85 PSEN1 (0.56) DRD2DRD4PSEN1PSEN2APH1B
SCHEMBL8063845 0.84 HSD11B1 (0.44) DRD2HSD11B1P2RX7
SCHEMBL4538141 0.84 BDKRB1 (0.46) HSD11B1PSEN1PSEN2APH1BNCSTN
SCHEMBL4531364 0.84 HSD11B1 (0.44) HSD11B1P2RX7

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 disclosed