SCHEMBL6505529

SCHEMBL6505529

CCOC(=O)C1CCN(c2cnc3ccccc3c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
TP53 P04637 2/20 0.53
KDM4E B2RXH2 2/20 0.53
HTR3A P46098 1/20 0.53
LGMN Q99538 1/20 0.53
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
BLM P54132 1/20 0.52
ALDH1A1 P00352 5/20 0.52
HTT P42858 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
AKR1C3 P42330 1/20 0.50
PTPN11 Q06124 1/20 0.50
PDK2 Q15119 1/20 0.49
HIF1A Q16665 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
SCHEMBL7693635 0.82 MAPT (0.56) MAPTTP53KDM4EKMT2AMEN1
SCHEMBL5800979 0.82 HTR3A (0.58) KDM4EHTR3ANPSR1AKR1C3
SCHEMBL21180884 0.79 MAPT (0.62) MAPTKDM4ELGMNKMT2AMEN1
SCHEMBL6500585 0.79 LGMN (0.61) MAPTTP53KDM4ELGMNKMT2A
SCHEMBL14470851 0.79 MAPT (0.57) MAPTKDM4ELGMNKMT2AMEN1
SCHEMBL5913512 0.79 MAPT (0.67) MAPTKDM4ELGMNKMT2AMEN1
SCHEMBL16648765 0.78 MAPT (0.63) MAPTTP53KDM4EKMT2AMEN1
SCHEMBL13918371 0.77 MAPT (0.55) MAPTKDM4ELGMNKMT2AMEN1
SCHEMBL4890947 0.77 LGMN (0.52) MAPTTP53KDM4ELGMNKMT2A
SCHEMBL16397946 0.76 LGMN (0.63) MAPTKDM4ELGMNKMT2AMEN1

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