SCHEMBL5779247

SCHEMBL5779247

CCCNC(=O)NCCC.[KH].[LiH]

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.65
KDM4C Q9H3R0 1/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP3 P08254 1/20 0.48
MMP9 P14780 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
EPHX2 P34913 1/20 0.45
MCL1 Q07820 1/20 0.44
MAPT P10636 1/20 0.41

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
SCHEMBL319971 0.94 EPHX1 (0.71) EPHX1KDM4CMEN1KMT2AALDH1A1
Dimethylamine SCHEMBL10414531 0.88 EPHX1 (0.65) EPHX1KDM4CMEN1KMT2AALDH1A1
SCHEMBL358575 0.86
SCHEMBL4577304 0.83 EPHX1 (0.60) EPHX1KDM4CMEN1KMT2AALDH1A1
SCHEMBL9323761 0.83 EPHX1 (0.82) EPHX1KDM4CMMP1MMP2EPHX2
SCHEMBL4577303 0.83 EPHX1 (0.60) EPHX1KDM4CMEN1KMT2AALDH1A1
SCHEMBL1416435 0.81 EPHX1 (0.58) EPHX1KDM4CMEN1KMT2AALDH1A1
SCHEMBL19881250 0.81 EPHX1 (0.58) EPHX1KDM4CMEN1KMT2AALDH1A1
SCHEMBL21582896 0.81 EPHX1 (0.58) EPHX1KDM4CMEN1KMT2AALDH1A1
SCHEMBL1753630 0.81 EPHX1 (0.95) EPHX1SMN1; SMN2EPHX2

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
EP-1254904-B1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME EISAI CO LTD (JP) 2006-05-24 EP disclosed