SCHEMBL4530293

SCHEMBL4530293

O=C(NCC1CCCN1S(=O)(=O)c1ccc(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.44
POLB P06746 1/20 0.43
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 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
SCHEMBL4537224 0.97 P2RX7 (0.43) P2RX7POLBDRD2DRD4
SCHEMBL4542459 0.88 P2RX7 (0.42) P2RX7
SCHEMBL8069525 0.88 EPHX2 (0.45) POLB
SCHEMBL4541718 0.87 EPHX1 (0.46) POLB
SCHEMBL8067471 0.87 EPHX1 (0.46) POLB
SCHEMBL4534371 0.87 DRD2 (0.41) P2RX7DRD2DRD4
SCHEMBL4542906 0.87 TP53 (0.43) P2RX7POLBDRD2DRD4
SCHEMBL8049794 0.87 POLB (0.39) P2RX7POLB
SCHEMBL4538787 0.86 PSEN1 (0.51) POLBDRD2DRD4
SCHEMBL4542333 0.86 PSEN1 (0.51) POLBDRD2DRD4

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