SCHEMBL6604249

SCHEMBL6604249

CCOC(OCC)[C@H]1CCC(=O)N1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.31
PDCD1 Q15116 2/20 0.30
CD274 Q9NZQ7 2/20 0.30

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
SCHEMBL9870670 1.00 MEN1 (0.32) MEN1KMT2AHTTPDCD1CD274
SCHEMBL9865636 1.00 MEN1 (0.32) MEN1KMT2AHTTPDCD1CD274
SCHEMBL6386752 0.89 BACE1 (0.31)
SCHEMBL5747380 0.89 BACE1 (0.31)
SCHEMBL5505248 0.79
SCHEMBL24535769 0.73 ALDH1A1 (0.36) PDCD1CD274
SCHEMBL12512988 0.73 ALDH1A1 (0.36) PDCD1CD274
SCHEMBL24535774 0.73 ALDH1A1 (0.36) PDCD1CD274
SCHEMBL367375 0.71
SCHEMBL14749809 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100371322-C 2-pyrrolidone derivatives as prostanoid agonists HOFFMAN ROCHE AG F (CH) 2008-02-27 CN disclosed
CN-1529593-A 2-pyrrolidone derivatives as prostanoid agonists - 2004-09-15 CN disclosed
EP-1408961-A1 2 PYRROLIDONE DERIVATIVES AS PROSTANOID AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-21 EP disclosed
WO-2003007941-A1 2 PYRROLIDONE DERIVATIVES AS PROSTANOID AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-01-30 WO disclosed