SCHEMBL8765184

SCHEMBL8765184

CC(C)CCNC(=O)CCN1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
TP53 P04637 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 6/20 0.47
FPR3 P25089 1/20 0.46
FPR2 P25090 1/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NAMPT P43490 1/20 0.44
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
ALOX15 P16050 1/20 0.43
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 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
Hydrochloric Acid SCHEMBL9868216 0.98 MAPT (0.57) MAPTTP53SMN1; SMN2ALDH1A1FPR3
SCHEMBL22170168 0.83 ALDH1A1 (0.70) TP53SMN1; SMN2ALDH1A1FPR3FPR2
SCHEMBL13661591 0.83 MAPT (0.70) MAPTSMN1; SMN2ALDH1A1POLBMEN1
SCHEMBL13584907 0.81 MAPT (0.56) MAPTSMN1; SMN2ALDH1A1POLBMEN1
SCHEMBL1768711 0.81 MAPT (0.56) MAPTSMN1; SMN2ALDH1A1POLBMEN1
SCHEMBL24703317 0.80 SMN1; SMN2 (0.44) MAPTTP53SMN1; SMN2ALDH1A1FPR3
SCHEMBL4578493 0.80 MAPT (0.66) MAPTTP53SMN1; SMN2ALDH1A1POLB
SCHEMBL4578490 0.80 MAPT (0.66) MAPTTP53SMN1; SMN2ALDH1A1POLB
SCHEMBL24703507 0.79 POLB (0.43) MAPTTP53SMN1; SMN2ALDH1A1FPR3
SCHEMBL9579390 0.78 MAPT (0.61) MAPTTP53SMN1; SMN2ALDH1A1POLB

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
EP-0420116-B1 Novel substituted alkyl piperidines and their use as inhibitors of cholesterol synthesis MERRELL PHARMA INC (US) 1997-07-30 EP claimed