SCHEMBL15537475

SCHEMBL15537475

COC(c1ccc(Cl)cc1)C1CCN(C(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.52
FPR2 P25090 4/20 0.51
PROKR1 Q8TCW9 4/20 0.51
OPRD1 P41143 1/20 0.41
CACNA2D1 P54289 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNB1 Q02641 1/20 0.41
CACNA1C Q13936 1/20 0.41
SLC6A2 P23975 3/20 0.40
SLC6A3 Q01959 3/20 0.40
MAPT P10636 1/20 0.40
MGLL Q99685 2/20 0.40
DPP4 P27487 1/20 0.40
DPP7 Q9UHL4 1/20 0.40

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
SCHEMBL7086566 0.87 FPR2 (0.50) FPR2PROKR1MGLL
SCHEMBL15535962 0.86 SLC6A2 (0.57) SLC6A4FPR2PROKR1OPRD1CACNA2D1
SCHEMBL23212057 0.86 CACNA1B (0.43) FPR2PROKR1CACNA2D1CACNA1BCACNB1
SCHEMBL13591106 0.83 ALDH1A1 (0.53) SLC6A4FPR2PROKR1MAPT
SCHEMBL3405447 0.81 KDM4E (0.47) SLC6A4FPR2PROKR1OPRD1CACNA2D1
SCHEMBL15536002 0.80 FPR2 (0.47) FPR2PROKR1OPRD1CACNA2D1CACNA1B
SCHEMBL4072569 0.78 OPRD1 (0.46) OPRD1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL28086941 0.75 DPP4 (0.42) MAPTMGLLDPP4DPP7
SCHEMBL15536288 0.75 FPR2 (0.49) FPR2PROKR1OPRD1CACNA2D1CACNA1B
SCHEMBL13591158 0.75 CYP3A4 (0.54) MAPT

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