SCHEMBL28066549

SCHEMBL28066549

O=C1CCCNCNCCCNN1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.41
CRBN Q96SW2 3/20 0.34
FKBP5 Q13451 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
SCHEMBL175406 0.86
SCHEMBL2794651 0.79
2-Pyrrolidone SCHEMBL27762483 0.77 OR51E2 (0.71) OR51E2CRBNFKBP5
SCHEMBL540663 0.77
SCHEMBL27864158 0.77 CRBN (0.36) OR51E2CRBNFKBP5
Fluoride SCHEMBL29583107 0.77
SCHEMBL28282350 0.75 OR51E2 (0.31) OR51E2
Piperidine SCHEMBL5712527 0.73 ALDH1A1 (0.43) OR51E2CRBNFKBP5
SCHEMBL279774 0.72
SCHEMBL3360735 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106220635-B The dihydro diaza * and carbazole ketone at the condensed Fourth Ring or five rings as PARP inhibitor 百济神州有限公司 2019-03-08 CN disclosed
CN-106220635-A As the Fourth Ring condensed of PARP inhibitor or the dihydro diaza * at five rings carbazole ketone 百济神州有限公司 2016-12-14 CN disclosed
CN-103703004-B Fused tetracyclic or pentacyclic dihydrodiaza-carbazolones as PARP inhibitors 百济神州有限公司 2016-06-29 CN disclosed