SCHEMBL4399646

SCHEMBL4399646

CC(=O)N1CCN(c2ccc(C(=N)NO)cn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
GAA P10253 1/20 0.50
AOC3 Q16853 2/20 0.49
KMT2A Q03164 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
UBE2T Q9NPD8 1/20 0.46

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
SCHEMBL15891156 0.82 UBE2T (0.67) ALDH1A1HSD17B10AOC3KMT2ARAB9A
SCHEMBL1742930 0.80 HRH3 (0.49) HDAC4UBE2THRH3
SCHEMBL3554426 0.78 UBE2T (0.48) ALDH1A1HSD17B10L3MBTL1KMT2ARAB9A
SCHEMBL4402275 0.78 ALDH1A1 (0.59) ALDH1A1HSD17B10GAAKMT2AHDAC6
SCHEMBL30434376 0.77 AKR1C3 (0.66) ALDH1A1HSD17B10L3MBTL1GAAAOC3
SCHEMBL1433065 0.77 AKR1C3 (0.66) ALDH1A1HSD17B10L3MBTL1GAAAOC3
SCHEMBL1630859 0.76 L3MBTL1 (0.58) ALDH1A1HSD17B10L3MBTL1GAAAOC3
SCHEMBL29576128 0.76 ME2 (0.60) ALDH1A1HSD17B10L3MBTL1GAAAOC3
SCHEMBL23245953 0.75 SYK (0.53) ALDH1A1HSD17B10L3MBTL1GAAAOC3
SCHEMBL29618450 0.75 SYK (0.53) ALDH1A1HSD17B10L3MBTL1GAAAOC3

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-1959951-B1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-12-23 EP disclosed