SCHEMBL7564524

SCHEMBL7564524

O=CC(Cl)C1(c2ccccc2F)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
HDAC4 P56524 5/20 0.42
PDE7A Q13946 1/20 0.36
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 4/20 0.35
HSD11B1 P28845 2/20 0.34
SLC6A2 P23975 1/20 0.34
HSD11B2 P80365 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
P2RX7 Q99572 1/20 0.32

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
SCHEMBL7570645 0.98 HDAC4 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7571494 0.85 P2RX7 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4445384 0.75 HDAC4 (0.40) HDAC4PDE7ASLC6A4OPRM1OPRK1
SCHEMBL4437244 0.73 HDAC4 (0.43) HDAC4PDE7AHSD11B1
SCHEMBL13755347 0.73 HDAC4 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6260698 0.73 SIGMAR1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20428043 0.70 HDAC4 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7566171 0.69 SLC6A4 (0.57) HDAC4SLC6A4SLC6A3HSD11B1SLC6A2
SCHEMBL21937614 0.69 HDAC4 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4435176 0.69 MEN1 (0.36) HDAC4SLC6A4SLC6A3SLC6A2OPRM1

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-2002083863-A2 THIAZOLE AND OTHER HETEROCYCLIC LIGANDS AND USE THEREOF SEPRACOR, INC. (US) 2002-10-24 WO disclosed