SCHEMBL7941493

SCHEMBL7941493

Cn1cc(CCN=O)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KCNH2 Q12809 2/20 0.37
PDE10A Q9Y233 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRA5 P31644 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
HTT P42858 1/20 0.35
SCN2A Q99250 1/20 0.35
CECR2 Q9BXF3 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL8342570 0.77
SCHEMBL23678033 0.75
SCHEMBL1751509 0.75
SCHEMBL18444926 0.75
SCHEMBL3509236 0.75
SCHEMBL3513227 0.75
SCHEMBL1751510 0.75
SCHEMBL7469718 0.74 ALDH1A1 (0.40) PDE8BALDH1A1MEN1KMT2AHSD17B10
SCHEMBL5263729 0.74
SCHEMBL12425628 0.73 HSD11B1 (0.39) PDE8BALDH1A1MEN1KMT2AHSD17B10

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-2010019391-A1 N-HETEROCYCLIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-02-18 WO disclosed