SCHEMBL6502744

SCHEMBL6502744

CCOC(=O)C1CCN(c2cccc(CC)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.61
MAPT P10636 4/20 0.56
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 1/20 0.56
CCR8 P51685 1/20 0.54
PDK2 Q15119 1/20 0.53
NPC1 O15118 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PKM P14618 1/20 0.53
MEN1 O00255 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
RECQL P46063 1/20 0.49

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
SCHEMBL6502658 0.87 LGMN (0.64) LGMNMAPTALDH1A1KDM4EPDK2
SCHEMBL655166 0.86 LGMN (0.70) LGMNMAPTALDH1A1KDM4EPDK2
SCHEMBL4949502 0.86 LGMN (0.62) LGMNMAPTALDH1A1KDM4EPDK2
SCHEMBL1573415 0.86 ALDH1A1 (0.64) LGMNMAPTALDH1A1KDM4EPDK2
SCHEMBL14321489 0.85 LGMN (0.61) LGMNMAPTALDH1A1KDM4EPDK2
SCHEMBL29838655 0.85 LGMN (0.61) LGMNMAPTALDH1A1KDM4EPDK2
SCHEMBL13896504 0.85 ALDH1A1 (0.69) LGMNMAPTALDH1A1KDM4ECCR8
SCHEMBL17876413 0.84 MAPT (0.68) LGMNMAPTALDH1A1KDM4EPDK2
SCHEMBL6501087 0.84 NOTUM (0.57) ALDH1A1KDM4EPDK2NPC1NPSR1
SCHEMBL5913512 0.84 MAPT (0.67) LGMNMAPTALDH1A1KDM4ENPC1

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
WO-2005019200-A2 ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 WO disclosed