SCHEMBL28936359

SCHEMBL28936359

CCOC(=O)C1(c2c(N)ncnc2N)CC=CCC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.36
OPRD1 P41143 3/20 0.35
OPRK1 P41145 3/20 0.35
SLC22A1 O15245 2/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
LIMK1 P53667 1/20 0.33

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
SCHEMBL30680173 0.92 OPRM1 (0.37) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL30680199 0.87 JAK2 (0.42) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL30680201 0.82 MAPT (0.37) MEN1KMT2A
SCHEMBL29407740 0.72 OPRM1 (0.34) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL13755065 0.68 SLC22A1 (0.39) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL4534061 0.68 OPRM1 (0.42) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL4983144 0.67 MEN1 (0.68) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL472143 0.67 BRD4 (0.39) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL19728884 0.65 SLC22A1 (0.37) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL15070912 0.65 SLC22A1 (0.37) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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
CN-109020957-B Heterocyclic compounds as MNK inhibitors 南京天印健华医药科技有限公司(CN) 2023-01-13 CN disclosed