SCHEMBL15833972

SCHEMBL15833972

CCCC(=O)NC[C@@H](O)CN(C)CC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.38
LMNA P02545 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PSMB5 P28074 1/20 0.36
CTSD P07339 1/20 0.35
MTNR1A P48039 6/20 0.35
MTNR1B P49286 6/20 0.35
ASAH1 Q13510 1/20 0.34
DNM1 Q05193 2/20 0.33
FAAH O00519 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL15829900 0.86 MEN1 (0.38) PSMB5
SCHEMBL24462465 0.81 CASP2 (0.48) CASP2LMNAHDAC3HDAC1HDAC2
SCHEMBL15834118 0.81
SCHEMBL15830358 0.80 NPC1 (0.32) LMNAMTNR1AMTNR1B
SCHEMBL15830171 0.80 NPC1 (0.32) LMNAMTNR1AMTNR1B
SCHEMBL15833946 0.80 LMNA (0.38) LMNA
SCHEMBL15833948 0.80 LMNA (0.38) LMNA
SCHEMBL15834176 0.76 PRMT5 (0.31)
SCHEMBL1347631 0.76 CASP2 (0.44) CASP2LMNAHDAC3HDAC1HDAC2
SCHEMBL12122298 0.76 CASP2 (0.44) CASP2LMNAHDAC3HDAC1HDAC2

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-2014100730-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2014-06-26 WO disclosed