SCHEMBL29239386

SCHEMBL29239386

CN1CCCC1c1nc(NC(=O)C2CC2)ccc1C1CCOC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.41
HTR1F P30939 4/20 0.41
HTR1D P28221 3/20 0.41
HTR1B P28222 3/20 0.41
HPGD P15428 1/20 0.40
ABL1 P00519 3/20 0.39
PIP5K1C O60331 4/20 0.39
PIK3CA P42336 4/20 0.39
HRH3 Q9Y5N1 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
ALDH1A1 P00352 1/20 0.35
TYK2 P29597 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
SCHEMBL30173054 1.00 HTR1A (0.41) HTR1AHTR1FHTR1DHTR1BHPGD
SCHEMBL24992531 1.00 HTR1A (0.41) HTR1AHTR1FHTR1DHTR1BHPGD
SCHEMBL23103870 0.79 HTR1A (0.47) HTR1AHTR1FHTR1DHTR1BHPGD
SCHEMBL24993450 0.79 CHRNB2 (0.40) HTR1ADRD2DRD4
SCHEMBL30173057 0.78 CHRNB2 (0.35)
SCHEMBL30173072 0.78 ADORA2B (0.46) HTR1AHTR1FHTR1DHTR1BHPGD
SCHEMBL24992530 0.78 ADORA2B (0.46) HTR1AHTR1FHTR1DHTR1BHPGD
SCHEMBL29239398 0.78 ADORA2B (0.46) HTR1AHTR1FHTR1DHTR1BHPGD
SCHEMBL23103872 0.76 HPGD (0.50) HPGDABL1PIP5K1CPIK3CASMN1; SMN2
SCHEMBL23133828 0.74 HPGD (0.49) HTR1AHTR1FHTR1DHTR1BHPGD

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