SCHEMBL9851577

SCHEMBL9851577

CCCN1CCC(CN)(CO)C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL9851573 0.85 KDM4E (0.37) KDM4ELMNAMAPK1NPSR1
SCHEMBL9851593 0.82 S1PR4 (0.30) KDM4ES1PR4S1PR1S1PR3S1PR5
Bromide SCHEMBL9851723 0.81
SCHEMBL9851614 0.77 CYP2D6 (0.36)
SCHEMBL24670563 0.76 KDM4E (0.37) KDM4E
SCHEMBL23900335 0.74 KDM4E (0.45) KDM4ES1PR4S1PR1S1PR3S1PR5
SCHEMBL4078203 0.72 GAA (0.34) KDM4EKMT2A
SCHEMBL24137999 0.68 KDM4E (0.47) KDM4ELMNAMAPK1NPSR1KMT2A
SCHEMBL24960426 0.67 HRH2 (0.41) KDM4ES1PR4S1PR1S1PR3S1PR5
SCHEMBL27393425 0.67 HRH2 (0.41) KDM4ES1PR4S1PR1S1PR3S1PR5

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-0417631-A2 Condensed diazepinones, process for their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1991-03-20 EP disclosed