SCHEMBL22073002

SCHEMBL22073002

C1=CCN(C2CCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC18A3 Q16572 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL22072994 0.95 KDM4E (0.35) KDM4ETDP1SLC18A3L3MBTL3L3MBTL1
SCHEMBL22073010 0.93 KDM4E (0.37) KDM4ETDP1SLC18A3
SCHEMBL15323355 0.90
SCHEMBL8901941 0.88
SCHEMBL30909113 0.82 L3MBTL3 (0.36) KDM4ETDP1SLC18A3L3MBTL3L3MBTL1
SCHEMBL2974735 0.80 KMT2A (0.33) TDP1L3MBTL3L3MBTL1
SCHEMBL29270116 0.78 HTR6 (0.47)
SCHEMBL736888 0.78
SCHEMBL20777904 0.76 L3MBTL3 (0.39) KDM4ETDP1SLC18A3L3MBTL3L3MBTL1
SCHEMBL2968855 0.74 L3MBTL3 (0.41) L3MBTL3L3MBTL1

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-2020117942-A1 CHOLINE METABOLISM INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-06-11 WO disclosed