SCHEMBL28568494

SCHEMBL28568494

CC(C)Oc1cnn2c1CN(C(=O)O)C(C)C2

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 2/20 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
SCHEMBL28912802 0.81 MAPT (0.34) —
SCHEMBL21058321 0.81 MAPT (0.34) —
SCHEMBL21058307 0.77 EGLN1 (0.30) —
SCHEMBL21986932 0.77 MAPT (0.32) —
SCHEMBL17925845 0.77 MAPT (0.32) —
SCHEMBL21058323 0.77 MAPT (0.32) —
SCHEMBL28562895 0.77 MAPT (0.32) —
SCHEMBL21958284 0.77 MAPT (0.32) —
SCHEMBL19615509 0.76 HCRTR2 (0.38) HCRTR1HCRTR2
SCHEMBL21058314 0.76 ATR (0.31) —

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-109153682-B Novel pyrazine compounds with oxygen, sulfur and nitrogen linkers for the treatment of infectious diseases 豪夫迈·罗氏有限公司 2021-05-25 — — CN disclosed
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