SCHEMBL5802971

SCHEMBL5802971

c1cn(C2CNCCO2)nn1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 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
SCHEMBL29154228 0.77
SCHEMBL31739507 0.73 HCAR2 (0.33) HCAR2
SCHEMBL9052051 0.73
SCHEMBL5860682 0.71 CD274 (0.33) HCAR2
SCHEMBL2821686 0.71
SCHEMBL13326794 0.69 HCAR2 (0.36) HCAR2
SCHEMBL4500031 0.69 HCAR2 (0.36) HCAR2
SCHEMBL9551484 0.69 HCAR2 (0.36) HCAR2
SCHEMBL28193456 0.68 SLC6A2 (0.35)
Hydrochloric Acid SCHEMBL8131080 0.68 HCAR2 (0.35) HCAR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118119631-A Programmable selective acylation of polyols 南洋理工大学 2024-05-31 CN claimed
EP-3331886-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY Indivior UK Limited (GB) 2018-06-13 EP disclosed
WO-2017021920-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LIMITED (GB) 2017-02-09 WO disclosed
EP-1716143-A1 POLYHETEROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-02 EP disclosed
WO-2005080386-A1 POLYHETEROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (US) 2005-09-01 WO disclosed