SCHEMBL15536845

SCHEMBL15536845

CCOC(c1ccc(Cl)cc1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
ALDH1A1 P00352 2/20 0.51
STS P08842 2/20 0.51
HTT P42858 2/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
CNR1 P21554 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
FPR2 P25090 1/20 0.48
PROKR1 Q8TCW9 1/20 0.48

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
SCHEMBL13591106 0.88 ALDH1A1 (0.53) SLC6A4ALDH1A1STSHTTNPC1
SCHEMBL14115554 0.88 ALDH1A1 (0.49) ALDH1A1STSHTTNPC1MAPT
SCHEMBL2519453 0.88 MEN1 (0.47) ALDH1A1STSHTTNPC1MAPT
SCHEMBL13591143 0.86 STS (0.51) ALDH1A1STSHTTNPC1MAPT
SCHEMBL14115557 0.85 ALDH1A1 (0.53) ALDH1A1STSHTTNPC1MAPT
SCHEMBL15535962 0.84 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL2520399 0.83 ALDH1A1 (0.55) ALDH1A1STSHTTNPC1MAPT
SCHEMBL13591175 0.82 ALDH1A1 (0.52) ALDH1A1STSHTTNPC1MAPT
SCHEMBL14115097 0.82 ALDH1A1 (0.50) ALDH1A1STSHTTNPC1MAPT
SCHEMBL15537151 0.82 ALDH1A1 (0.54) ALDH1A1STSHTTNPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855449-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP disclosed
WO-2013179024-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-05 WO disclosed