SCHEMBL6890569

SCHEMBL6890569

NC(Cc1ccccc1)C(O)CNCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.60
POLB P06746 1/20 0.60
ATG4B Q9Y4P1 1/20 0.60
DNM1 Q05193 1/20 0.50
BCHE P06276 3/20 0.47
SPPL2A Q8TCT8 1/20 0.47
LMNA P02545 1/20 0.44
F2 P00734 1/20 0.44
TRPV1 Q8NER1 1/20 0.42
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
PNMT P11086 1/20 0.41
CSNK1E P49674 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BACE1 P56817 4/20 0.41
SLC6A11 P48066 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
SCHEMBL3352288 1.00 PLA2G1B (0.60) PLA2G1BPOLBATG4BDNM1BCHE
Hydrochloric Acid SCHEMBL5215664 0.86 SIGMAR1 (0.48) PLA2G1BPOLBATG4BSPPL2AF2
SCHEMBL6892334 0.85 LMNA (0.61) DNM1BCHELMNAF2PNMT
SCHEMBL3350317 0.85 LMNA (0.61) DNM1BCHELMNAF2PNMT
SCHEMBL3351836 0.85 BCHE (0.53) DNM1BCHELMNAOPRD1OPRK1
SCHEMBL6894816 0.85 BCHE (0.53) DNM1BCHELMNAOPRD1OPRK1
SCHEMBL3353939 0.84 BCHE (0.61) DNM1BCHELMNAF2OPRD1
SCHEMBL2605624 0.84 BCHE (0.61) DNM1BCHELMNAF2OPRD1
SCHEMBL496172 0.84 BCHE (0.61) DNM1BCHELMNAF2OPRD1
SCHEMBL7951036 0.84 BCHE (0.61) DNM1BCHELMNAF2OPRD1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed