SCHEMBL29239397

SCHEMBL29239397

CN(C)Cc1nc(OC(N)=O)ccc1C1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.33
CNR1 P21554 3/20 0.33
SLC6A9 P48067 1/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
ACVR1 Q04771 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
SCHEMBL28876734 0.89 CNR2 (0.36) CNR2CNR1
SCHEMBL29239387 0.85 IKBKB (0.32)
SCHEMBL31330381 0.85 CNR2 (0.38) CNR2CNR1
SCHEMBL29150549 0.76 PARP1 (0.31)
SCHEMBL23089475 0.76 BACE1 (0.38) HTR1ADRD2HTR2AHTR7HTR1D
SCHEMBL28876524 0.74 CNR2 (0.34) CNR2
SCHEMBL24992664 0.74 HTR1A (0.38) CNR2CNR1HTR1ADRD2HTR2A
SCHEMBL23089799 0.73 ALOX5AP (0.36) CNR2CNR1HTR1ADRD2HTR2A
SCHEMBL29239409 0.72 GRM2 (0.37)
SCHEMBL23107837 0.71 PDK2 (0.35) CNR2CNR1HTR1ADRD2HTR2A

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-117915912-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2024-04-19 CN disclosed