SCHEMBL13258239

SCHEMBL13258239

CC(CN1CCCc2ccccc21)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.51
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CHRM2 P08172 5/20 0.46
CHRM4 P08173 5/20 0.46
CHRM1 P11229 5/20 0.46
CHRM3 P20309 5/20 0.46
CTSL P07711 4/20 0.46
CTSB P07858 1/20 0.46
KCNQ2 O43526 1/20 0.45
SCN9A Q15858 2/20 0.45
NR1I3 Q14994 1/20 0.45
ALOX15 P16050 1/20 0.44
GFER P55789 1/20 0.44

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
SCHEMBL21021363 0.97 HDAC1 (0.48) CTSKALDH1A1GAAHDAC3HDAC1
SCHEMBL21020832 0.83 CARM1 (0.51) CTSKHDAC1HDAC6
SCHEMBL27478660 0.83 CARM1 (0.51) CTSKHDAC1HDAC6
SCHEMBL27478669 0.83 CARM1 (0.51) CTSKHDAC1HDAC6
SCHEMBL9816254 0.83 ALDH1A1 (0.54) ALDH1A1GAAHDAC3HDAC1HDAC2
SCHEMBL21020862 0.81 DRD2 (0.52) CTSKCTSLCTSBSCN9A
SCHEMBL13258119 0.80 NPSR1 (0.61) CTSKALDH1A1CTSLCTSB
SCHEMBL7677937 0.79 CTSK (0.45) CTSKALDH1A1HDAC1HDAC6CTSL
SCHEMBL7677943 0.79 CTSK (0.45) CTSKALDH1A1HDAC1HDAC6CTSL
SCHEMBL5850357 0.79 CHRM2 (0.45) CTSKALDH1A1GAACHRM2CHRM4

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-2010088450-A2 METHODS FOR TREATING DISEASES ASSOCIATED WITH THE MODULATION OF SERCA CELLADON CORPORATION (US) 2010-08-05 WO disclosed