SCHEMBL4531364

SCHEMBL4531364

O=C(NCC1CCCCN1S(=O)(=O)c1ccccc1Cl)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.44
P2RX7 Q99572 1/20 0.42
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL4542459 0.97 P2RX7 (0.42) HSD11B1P2RX7HPGD
SCHEMBL8063845 0.91 HSD11B1 (0.44) HSD11B1P2RX7ALDH1A1
SCHEMBL4537224 0.89 P2RX7 (0.43) P2RX7LMNA
SCHEMBL8058698 0.88 KMT2A (0.44) P2RX7HPGDALDH1A1KMT2AMCOLN3
SCHEMBL4533522 0.88 KMT2A (0.44) P2RX7HPGDALDH1A1KMT2AMCOLN3
SCHEMBL4539750 0.88 HSD11B1 (0.52) HSD11B1
SCHEMBL4531591 0.87 DRD2 (0.42) HSD11B1P2RX7HPGD
SCHEMBL8069525 0.87 EPHX2 (0.45) HSD11B1KMT2A
SCHEMBL4537337 0.87 ATM (0.46) HSD11B1HPGDLMNAGAAALDH1A1
SCHEMBL4534763 0.87 EPHX1 (0.52) HSD11B1

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