SCHEMBL13015332

SCHEMBL13015332

NC(=O)[C@@H]1CCN1C1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.36
CNR1 P21554 4/20 0.36
KDM4E B2RXH2 2/20 0.34
HRH3 Q9Y5N1 7/20 0.33
PARP1 P09874 1/20 0.32

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
SCHEMBL5721034 0.89 CNR2 (0.46) CNR2CNR1HRH3
SCHEMBL5721011 0.89 CNR2 (0.46) CNR2CNR1HRH3
SCHEMBL2123598 0.82 CNR2 (0.37) CNR2CNR1HRH3
SCHEMBL2123594 0.82 CNR2 (0.37) CNR2CNR1HRH3
SCHEMBL15194476 0.81 CNR2 (0.36) CNR2CNR1HRH3
SCHEMBL20458217 0.81 CNR2 (0.41) CNR2CNR1HRH3
SCHEMBL15194404 0.80 CNR2 (0.40) CNR2CNR1KDM4E
SCHEMBL3965711 0.80 CNR2 (0.34) CNR2CNR1PARP1
Lithium Ion SCHEMBL15193830 0.79 CNR2 (0.36) CNR2CNR1HRH3
SCHEMBL1767824 0.76 CA12 (0.36) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443107-B1 AZETIDINE 2 -CARBOXAMIDE DERIVATIVES WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2018-08-08 EP disclosed
WO-2010147791-A1 AZETIDINE 2 -CARBOXAMIDE DERIVATIVES WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-23 WO disclosed