SCHEMBL28200535

SCHEMBL28200535

O=C(c1ccccc1)N1CCC[C@H](O)C1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.61
GRM3 Q14832 1/20 0.58
ALDH1A1 P00352 4/20 0.54
ACHE P22303 1/20 0.54
USP2 O75604 1/20 0.54
L3MBTL3 Q96JM7 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 2/20 0.54
SLC18A3 Q16572 1/20 0.54
POLB P06746 1/20 0.54
LMNA P02545 1/20 0.53
HIF1A Q16665 1/20 0.53
HSD11B1 P28845 1/20 0.53
MAPK1 P28482 1/20 0.51
RECQL P46063 1/20 0.51

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
SCHEMBL8163272 0.91 HPGD (0.67) HPGDGRM3ALDH1A1POLBLMNA
SCHEMBL2720515 0.90 ACHE (0.62) HPGDACHEL3MBTL3L3MBTL1KDM4E
SCHEMBL5871923 0.90 ACHE (0.62) HPGDACHEL3MBTL3L3MBTL1KDM4E
SCHEMBL12442621 0.90 ACHE (0.62) HPGDACHEL3MBTL3L3MBTL1KDM4E
SCHEMBL3643258 0.87 GRM3 (0.73) GRM3
SCHEMBL2821668 0.84 NPC1 (0.59) GRM3ALDH1A1L3MBTL1KDM4ESLC18A3
SCHEMBL1972661 0.84 NPC1 (0.59) GRM3ALDH1A1L3MBTL1KDM4ESLC18A3
SCHEMBL10194853 0.84 GRM3 (0.62) HPGDGRM3ALDH1A1RECQL
SCHEMBL10194846 0.84 GRM3 (0.62) HPGDGRM3ALDH1A1RECQL
SCHEMBL2998896 0.84 GRM3 (0.59) HPGDGRM3ALDH1A1L3MBTL3L3MBTL1

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
CN-107573277-A The manufacture method of the formic acid of 5 hydroxy piperidine 2 株式会社API 2018-01-12 CN disclosed