SCHEMBL15212085

SCHEMBL15212085

CCOC(=O)C1C[C@H](N)CN1CC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.38
KDM4E B2RXH2 6/20 0.38
FKBP1A P62942 2/20 0.38
ALDH1A1 P00352 8/20 0.37
MMP2 P08253 1/20 0.36
ANPEP P15144 1/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
GRM2 Q14416 1/20 0.35
HTT P42858 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL15221356 1.00 MEN1 (0.39) MEN1KMT2ALMNAKDM4EFKBP1A
SCHEMBL15211952 0.99 MEN1 (0.41) MEN1KMT2ALMNAKDM4EFKBP1A
SCHEMBL15221418 0.99 MEN1 (0.41) MEN1KMT2ALMNAKDM4EFKBP1A
SCHEMBL15211837 0.97 MEN1 (0.36) MEN1KMT2ALMNAKDM4EFKBP1A
SCHEMBL15221375 0.97 MEN1 (0.36) MEN1KMT2ALMNAKDM4EFKBP1A
SCHEMBL16338335 0.86 ANPEP (0.51) MEN1KMT2ALMNAKDM4EFKBP1A
SCHEMBL15211533 0.86 ANPEP (0.51) MEN1KMT2ALMNAKDM4EFKBP1A
SCHEMBL15221376 0.84 ANPEP (0.50) MEN1KMT2ALMNAKDM4EFKBP1A
SCHEMBL15211791 0.84 ANPEP (0.50) MEN1KMT2ALMNAKDM4EFKBP1A
SCHEMBL15221406 0.84 ANPEP (0.50) MEN1KMT2ALMNAKDM4EFKBP1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2817291-A1 ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2014-12-31 EP disclosed
WO-2013124335-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-08-29 WO disclosed