SCHEMBL4071002

SCHEMBL4071002

O=C(O)OC1=NOC2(CCCN(C3CC3)C2)C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
KDM5A P29375 2/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
POLB P06746 1/20 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
SCHEMBL4070046 0.92 KDM5A (0.33) KDM5A
SCHEMBL4062854 0.84 KDM5A (0.34) KDM5AHRH3
SCHEMBL4070998 0.81 KDM4E (0.32) KDM4EKDM5AHRH3
SCHEMBL4070037 0.77 TP53 (0.32)
SCHEMBL4066532 0.75 TSHR (0.33)
SCHEMBL4070044 0.72 KDM5A (0.32) KDM5AHRH3
SCHEMBL4620016 0.72
SCHEMBL4619727 0.69 ATM (0.36)
SCHEMBL6409412 0.68
SCHEMBL4619489 0.65 KDM4E (0.34) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2520568-B1 Spirocyclic nitriles as inhibitors of protease SANOFI SA (FR) 2015-09-09 EP disclosed
EP-2520568-A1 Spirocyclic nitriles as inhibitors of protease SANOFI (FR) 2012-11-07 EP disclosed
EP-2032535-B1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI SA (FR) 2012-08-01 EP disclosed
EP-2032535-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS Sanofi-Aventis (FR) 2009-03-11 EP disclosed
WO-2007137738-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI-AVENTIS (DE) 2007-12-06 WO disclosed