SCHEMBL7995752

SCHEMBL7995752

Cc1c(Oc2ccccc2)ccnc1CCl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.42
LTA4H P09960 2/20 0.37
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
LOXL2 Q9Y4K0 2/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
CYP2D6 P10635 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KCNH2 Q12809 1/20 0.36
RIPK1 Q13546 1/20 0.36
LOX P28300 1/20 0.36
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
BRD4 O60885 1/20 0.35
DPP4 P27487 1/20 0.35
GCK P35557 1/20 0.35
FGFR2 P21802 1/20 0.35

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
SCHEMBL7995444 0.84 TTR (0.41) TTRLTA4HPTGS1PTGS2LOXL2
Hydrochloric Acid SCHEMBL10918619 0.78 L3MBTL1 (0.56) LTA4HMAPTBRD4
SCHEMBL3393106 0.78 ATP1A1 (0.37) CYP2D6KCNH2MAPTALDH1A1TSHR
SCHEMBL30163883 0.78 ATP1A1 (0.37) CYP2D6KCNH2MAPTALDH1A1TSHR
SCHEMBL7997563 0.78 PTGS1 (0.43) LTA4HPTGS1PTGS2MAPTTSHR
SCHEMBL7995467 0.77 ALDH1A1 (0.44) MAPTALDH1A1TSHR
SCHEMBL10335446 0.76 SMN1; SMN2 (0.44) TTRCYP2D6KCNH2MAPTALDH1A1
Hydrochloric Acid SCHEMBL2111356 0.76 PDE10A (0.38) CYP2D6KCNH2MAPTALDH1A1TSHR
SCHEMBL6861334 0.75 MAPT (0.35) PTGS1SLC6A2CYP2D6KCNH2MAPT
SCHEMBL6872706 0.75 MAPT (0.38) PTGS1SLC6A2CYP2D6KCNH2MAPT

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-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO disclosed