SCHEMBL4537036

SCHEMBL4537036

O=C(NCC1CCN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.47
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
EPHX2 P34913 6/20 0.43
TRPV4 Q9HBA0 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL8060983 1.00 P2RX7 (0.47) P2RX7DRD2DRD4EPHX2TRPV4
SCHEMBL4537384 0.95 P2RX7 (0.45) P2RX7DRD2DRD4EPHX2TRPV4
SCHEMBL4537312 0.90 P2RX7 (0.43) P2RX7DRD2DRD4MEN1KMT2A
SCHEMBL4542824 0.87 HDAC3 (0.52) P2RX7EPHX2ALDH1A1
SCHEMBL4541776 0.86 LMNA (0.55) DRD2DRD4MEN1KMT2AKDM4E
SCHEMBL8062169 0.84 FBP1 (0.50) MEN1KMT2AALDH1A1
SCHEMBL4542443 0.84 FBP1 (0.50) MEN1KMT2AALDH1A1
SCHEMBL4530293 0.84 P2RX7 (0.44) P2RX7DRD2DRD4
SCHEMBL4537224 0.83 P2RX7 (0.43) P2RX7DRD2DRD4
SCHEMBL4539753 0.82 HDAC3 (0.49) P2RX7EPHX2ALDH1A1

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