SCHEMBL9726922

SCHEMBL9726922

O=C1NCCCC12CCCNC2=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.38
GRIN2A Q12879 3/20 0.38
OR51E2 Q9H255 1/20 0.38
CRBN Q96SW2 2/20 0.36
FKBP5 Q13451 1/20 0.36
GRIN2B Q13224 1/20 0.32
OTUD7B Q6GQQ9 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
SCHEMBL31580440 0.95 GRIN1 (0.36) GRIN1GRIN2AOR51E2CRBNFKBP5
SCHEMBL10410273 0.82 OTUD7B (0.36) GRIN1GRIN2ACRBNGRIN2BOTUD7B
SCHEMBL15018071 0.76
SCHEMBL5173578 0.76 OTUD7B (0.37) GRIN1GRIN2AOR51E2CRBNFKBP5
SCHEMBL25238524 0.76 OTUD7B (0.37) GRIN1GRIN2AOR51E2CRBNFKBP5
SCHEMBL25335062 0.75 CRBN (0.38) OR51E2CRBNFKBP5
SCHEMBL4188746 0.74
SCHEMBL23009701 0.74
SCHEMBL21001975 0.74
SCHEMBL2171976 0.74 GRIN1 (0.40) GRIN1GRIN2AOR51E2CRBNFKBP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP disclosed
US-5128466-A For monitoring lithium levels in patients receiving lithium treatment for depression THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1992-07-07 US disclosed