SCHEMBL6680038

SCHEMBL6680038

CCCCCNCCCC(CCCCC)N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SCN5A Q14524 1/20 0.33
S1PR2 O95136 5/20 0.33
S1PR4 O95977 5/20 0.33
S1PR1 P21453 5/20 0.33
S1PR3 Q99500 5/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
S1PR5 Q9H228 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
DPP4 P27487 1/20 0.31
GNAI3 P08754 1/20 0.31

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
SCHEMBL3160023 0.87 HRH3 (0.40) ALDH1A1MAPTHRH3L3MBTL1MAPK1
SCHEMBL24688643 0.87 HRH3 (0.40) ALDH1A1MAPTHRH3L3MBTL1MAPK1
SCHEMBL22446838 0.85 HRH3 (0.39) ALDH1A1MAPTHRH3L3MBTL1MAPK1
SCHEMBL21210881 0.85 HRH3 (0.39) ALDH1A1MAPTHRH3L3MBTL1MAPK1
SCHEMBL18430268 0.85 HRH3 (0.39) ALDH1A1MAPTHRH3L3MBTL1MAPK1
SCHEMBL23032896 0.85 HRH3 (0.39) ALDH1A1MAPTHRH3L3MBTL1MAPK1
SCHEMBL22877461 0.85 HRH3 (0.42) ALDH1A1MAPTHRH3L3MBTL1MAPK1
SCHEMBL22363315 0.85 HRH3 (0.39) ALDH1A1MAPTHRH3L3MBTL1MAPK1
SCHEMBL22990875 0.85 HRH3 (0.39) ALDH1A1MAPTHRH3L3MBTL1MAPK1
SCHEMBL18387974 0.85 HRH3 (0.39) ALDH1A1MAPTHRH3L3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097924-B1 4-hydroxy-4-phenylpiperidine derivatives having opioid agonist activity and pharmaceuticals containing the same SSP CO LTD (JP) 2004-08-25 EP disclosed
US-6362203-B1 ANALGESICS SSP CO., LTD (JP) 2002-03-26 US disclosed
EP-1097924-A1 4-hydroxy-4-phenylpiperidine derivatives having -opioid agonist activity and pharmaceuticals containing the same SSP Co., Ltd. (JP) 2001-05-09 EP disclosed