SCHEMBL18909103

SCHEMBL18909103

CCC(=O)N1CCC(N2CCC[C@H](C#N)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
EPHX2 P34913 2/20 0.40
KDM2B Q8NHM5 1/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.38
CHRM1 P11229 1/20 0.37

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
SCHEMBL22891320 1.00 PKM (0.41) PKMEPHX2KDM2BKDM4EL3MBTL1
SCHEMBL21281054 1.00 PKM (0.41) PKMEPHX2KDM2BKDM4EL3MBTL1
SCHEMBL18909248 0.92 KDM2B (0.42) PKMEPHX2KDM2BKDM4EL3MBTL1
SCHEMBL24244806 0.86 MEN1 (0.40) PKMKDM2BKDM4EL3MBTL1MEN1
SCHEMBL21281022 0.86 MEN1 (0.40) PKMKDM2BKDM4EL3MBTL1MEN1
SCHEMBL24521475 0.86 SMN1; SMN2 (0.43) PKMEPHX2KDM4EL3MBTL1MEN1
SCHEMBL22891321 0.85 DPP4 (0.41) PKMKDM2BKDM4EL3MBTL1MEN1
SCHEMBL26148283 0.85 KDM4E (0.47) PKMKDM2BKDM4EL3MBTL1MEN1
SCHEMBL26148290 0.85 DPP4 (0.41) PKMKDM2BKDM4EL3MBTL1MEN1
SCHEMBL24584617 0.84 MEN1 (0.37) PKMKDM2BKDM4EL3MBTL1MEN1

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
WO-2017140825-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-08-24 WO disclosed
WO-2017089390-A1 JANUS KINASES INHIBITORS, COMPOSITIONS THEREOF AND USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-06-01 WO disclosed