SCHEMBL19145676

SCHEMBL19145676

CC(=O)OC1CCN(C(=O)c2ccc(N)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.53
ALDH1A1 P00352 1/20 0.50
ESR1 P03372 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL3 Q96JM7 4/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
HSD11B1 P28845 2/20 0.47
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.46
ACHE P22303 1/20 0.45
MBTD1 Q05BQ5 1/20 0.45
TP53BP1 Q12888 1/20 0.45
L3MBTL4 Q8NA19 1/20 0.45

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
SCHEMBL305207 0.85 L3MBTL3 (0.49) ALDH1A1L3MBTL3HSD11B1KMT2APOLB
SCHEMBL19915895 0.85 MGLL (0.56) MGLLL3MBTL3CA12CA1CA2
SCHEMBL7809522 0.85 ACHE (0.64) MGLLL3MBTL3HSD11B1KMT2AMEN1
SCHEMBL12156431 0.80 ACHE (0.70) MGLLALDH1A1L3MBTL3CA12CA1
SCHEMBL28006179 0.79 GFER (0.55) ALDH1A1ESR1HSD17B10KMT2APOLB
SCHEMBL19127245 0.79 L3MBTL3 (0.43) ALDH1A1L3MBTL3HSD11B1KMT2APOLB
SCHEMBL31267062 0.78 MGLL (0.61) MGLLALDH1A1L3MBTL3CA12CA1
SCHEMBL13575475 0.78 MGLL (0.61) MGLLALDH1A1L3MBTL3CA12CA1
SCHEMBL3001302 0.78 MGLL (0.61) MGLLALDH1A1L3MBTL3CA12CA1
SCHEMBL19145591 0.78 L3MBTL3 (0.42) ALDH1A1L3MBTL3HSD11B1KMT2APOLB

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-2017121444-A1 QUINOLIN-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2017-07-20 WO disclosed