SCHEMBL6500585

SCHEMBL6500585

CCOC(=O)C1CCN(c2ccc3nc(C)ccc3c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.61
ALDH1A1 P00352 7/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
MAPT P10636 5/20 0.56
SHMT2 P34897 1/20 0.52
KDM4E B2RXH2 4/20 0.52
HPGD P15428 3/20 0.52
CASP1 P29466 2/20 0.52
HSD17B10 Q99714 2/20 0.52
GAA P10253 2/20 0.52
TSHR P16473 2/20 0.52
MAPK1 P28482 2/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 1/20 0.51
PDE3B Q13370 1/20 0.51
PDE3A Q14432 1/20 0.51
PDK2 Q15119 1/20 0.51
TP53 P04637 1/20 0.48

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
SCHEMBL6502486 0.84 PDE3B (0.59) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL21533588 0.80 LGMN (0.69) LGMNALDH1A1KMT2AMEN1MAPT
SCHEMBL23086805 0.80 LGMN (0.62) LGMNALDH1A1KMT2AMEN1MAPT
SCHEMBL6505529 0.79 MAPT (0.59) LGMNALDH1A1KMT2AMEN1MAPT
SCHEMBL7016361 0.79 LGMN (0.61) LGMNALDH1A1KMT2AMEN1MAPT
SCHEMBL21180884 0.79 MAPT (0.62) LGMNALDH1A1KMT2AMEN1MAPT
SCHEMBL30035162 0.78 SHMT2 (0.57) LGMNALDH1A1KMT2AMEN1MAPT
SCHEMBL23602258 0.78 SHMT2 (0.57) LGMNALDH1A1KMT2AMEN1MAPT
SCHEMBL15850037 0.78 MAPT (0.71) LGMNALDH1A1KMT2AMEN1MAPT
SCHEMBL23086849 0.78 LGMN (0.60) LGMNALDH1A1KMT2AMEN1MAPT

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