SCHEMBL16091185

SCHEMBL16091185

CCN(CCN(C)c1ncnc(N[C@H](C)COC)c1C)C(C)=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 1/20 0.34
▸ TP53 P04637 2/20 0.34
▸ ACACB O00763 5/20 0.33
▸ HCRTR1 O43613 3/20 0.33
▸ HCRTR2 O43614 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL17623436 0.83 TP53 (0.40) HCAR3TP53ACACBRAB9AKDM4E
SCHEMBL16090980 0.77 TP53 (0.42) HCAR3TP53ACACBRAB9AKDM4E
SCHEMBL16090970 0.77 TP53 (0.42) HCAR3TP53ACACBRAB9AKDM4E
SCHEMBL17622955 0.73 TP53 (0.36) HCAR3TP53RAB9AKDM4EMEN1
SCHEMBL16090928 0.72 TP53 (0.38) HCAR3TP53ACACBRAB9AKDM4E
SCHEMBL17622843 0.71 TP53 (0.38) HCAR3TP53RAB9AKDM4EMEN1
SCHEMBL17623016 0.71 TP53 (0.32) TP53RAB9AKDM4EMEN1NPC1
SCHEMBL16091163 0.69 TP53 (0.45) HCAR3TP53ACACBRAB9AKDM4E
SCHEMBL16091174 0.68 TP53 (0.43) HCAR3TP53ACACBRAB9AKDM4E
SCHEMBL17623352 0.66 TP53 (0.41) HCAR3TP53ACACBRAB9AKDM4E

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-2014144169-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-18 — — WO disclosed
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