SCHEMBL21178229

SCHEMBL21178229

CCOC(=O)C(Cc1ccccc1)C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.47
SLC6A3 Q01959 4/20 0.47
SLC6A4 P31645 4/20 0.47
MMP8 P22894 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
TSHR P16473 1/20 0.41
CPN1 P15169 1/20 0.41
CPB2 Q96IY4 1/20 0.41
SMYD3 Q9H7B4 1/20 0.40
EPHX2 P34913 1/20 0.40
PPARG P37231 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
SCHEMBL31292855 0.89 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4MAPTPKM
SCHEMBL31293221 0.84 MAPT (0.48) SLC6A2SLC6A3SLC6A4L3MBTL1MAPT
SCHEMBL9031326 0.81 MAPT (0.46) SLC6A2SLC6A3SLC6A4MMP8L3MBTL1
SCHEMBL21178241 0.81 CYP3A4 (0.45) SLC6A2SLC6A3SLC6A4OPRD1TSHR
SCHEMBL27832973 0.80 CPN1 (0.45) PKMOPRD1CPN1CPB2
SCHEMBL7679413 0.79 EPHX2 (0.46) SLC6A2SLC6A3SLC6A4MMP8MAPT
SCHEMBL8193192 0.78 SLC6A2 (0.65) SLC6A2SLC6A3SLC6A4MAPTPKM
SCHEMBL17729118 0.78 CPN1 (0.47) SLC6A2SLC6A3SLC6A4L3MBTL1MAPT
SCHEMBL31293284 0.76 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4MMP8
SCHEMBL10367670 0.76 ITGB3 (0.46) SLC6A2SLC6A3SLC6A4TSHRCPN1

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
CN-111868030-B 1- (1-Tert-butoxycarbonyl-4-piperidylacetyl) -4-methanesulfonyloxy piperidine and preparation method thereof 有机合成药品工业株式会社 2024-07-19 CN disclosed
WO-2019142901-A1 METHOD FOR PRODUCING 1-(1-TERT-BUTOXYCARBONYL-4-PIPERIDYLACETYL)-4-MESYLOXYPIPERIDINE AND 1-(1-TERT-BUTOXYCARBONYL-4-PIPERIDYLACETYL)-4-MESYLOXYPIPERIDINE 有機合成薬品工業株式会社 2019-07-25 WO disclosed