SCHEMBL17778339

SCHEMBL17778339

COC(=O)c1ncc2c(n1)N(C(=O)c1ccccn1)[C@H]1CCN2C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ OPRK1 P41145 5/20 0.36
▸ ADRA1A P35348 2/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ PLA2G1B P04054 1/20 0.36
▸ ATG4B Q9Y4P1 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ PDE4B Q07343 1/20 0.35
▸ RBP4 P02753 1/20 0.35
▸ TTK P33981 1/20 0.35
▸ PDE2A O00408 1/20 0.35

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
SCHEMBL17778342 0.88 L3MBTL1 (0.40) MEN1KMT2AEPHX2DRD2L3MBTL1
SCHEMBL17769452 0.86 MEN1 (0.39) MEN1KMT2AOPRK1
SCHEMBL17778483 0.82 OPRK1 (0.40) OPRK1
SCHEMBL17778340 0.82 CTSS (0.37) EPHX2L3MBTL1ADRA1AHTR1A
SCHEMBL17769757 0.75 OPRK1 (0.42) OPRK1
SCHEMBL17769352 0.75 OPRK1 (0.42) OPRK1
SCHEMBL17769420 0.75 IRAK4 (0.39) L3MBTL1OPRK1
SCHEMBL17769756 0.74 TRPV1 (0.39) MEN1KMT2ADRD2L3MBTL1
SCHEMBL17777041 0.74 MEN1 (0.39) MEN1KMT2A
SCHEMBL17778411 0.71 SORD (0.34) OPRK1

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-2016079712-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
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