SCHEMBL6510233

SCHEMBL6510233

CCOC(=O)C1CCN(c2cccc(N(C)C)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.59
KDM4E B2RXH2 3/20 0.57
MAPT P10636 5/20 0.54
ALDH1A1 P00352 5/20 0.53
FFAR4 Q5NUL3 1/20 0.52
PDK2 Q15119 1/20 0.52
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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 0.85 LGMN (0.64) LGMNKDM4EMAPTALDH1A1PDK2
SCHEMBL4949502 0.84 LGMN (0.62) LGMNKDM4EMAPTALDH1A1PDK2
SCHEMBL655166 0.84 LGMN (0.70) LGMNKDM4EMAPTALDH1A1PDK2
SCHEMBL1573415 0.84 ALDH1A1 (0.64) LGMNKDM4EMAPTALDH1A1PDK2
SCHEMBL14321489 0.82 LGMN (0.61) LGMNKDM4EMAPTALDH1A1PDK2
SCHEMBL6502744 0.82 LGMN (0.61) LGMNKDM4EMAPTALDH1A1PDK2
SCHEMBL29838655 0.82 LGMN (0.61) LGMNKDM4EMAPTALDH1A1PDK2
SCHEMBL13896504 0.82 ALDH1A1 (0.69) LGMNKDM4EMAPTALDH1A1FFAR4
SCHEMBL6505025 0.82 FFAR4 (0.58) KDM4EMAPTFFAR4PDK2HTT
SCHEMBL5913512 0.82 MAPT (0.67) LGMNKDM4EMAPTALDH1A1MEN1

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