SCHEMBL6850109

SCHEMBL6850109

O=C1C[N+]2(CCCC2)CCN1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.39
CRBN Q96SW2 2/20 0.37
FKBP5 Q13451 1/20 0.37

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
SCHEMBL30640643 0.65
SCHEMBL16075134 0.58 CRBN (0.47) CRBN
SCHEMBL4905025 0.58 CXCR4 (0.35)
Hydrochloric Acid SCHEMBL19212616 0.58 KDM4E (0.36)
SCHEMBL4903063 0.56 ALDH1A1 (0.41)
2-Pyrrolidone SCHEMBL27827832 0.56
2-Pyrrolidone SCHEMBL2167448 0.56 OR51E2 (1.00) OR51E2CRBNFKBP5
2-Pyrrolidone SCHEMBL4299593 0.56
2-Pyrrolidone SCHEMBL9304498 0.56 OR51E2 (1.00) OR51E2CRBNFKBP5
2-Pyrrolidone SCHEMBL2389 0.56

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
EP-2289882-A1 3-oxopiperazinium derivatives as agonists of nerve growth factor and their use as medicaments Institut d'Investigacions Biomédiques August PI I Sunyer (ES) 2011-03-02 EP disclosed