SCHEMBL13285010

SCHEMBL13285010

CC(C)(C)c1nc(NC(=O)[C@@H]2C[C@H](O)CN2CC2CCOCC2)sc1N

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.59
CNR1 P21554 8/20 0.42
PIK3CD O00329 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CG P48736 1/20 0.34
HSD11B1 P28845 1/20 0.32
GCK P35557 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
SCHEMBL9891980 0.86 CNR2 (0.56) CNR2CNR1PIK3CDPIK3CAPIK3CG
SCHEMBL9891997 0.86 CNR2 (0.56) CNR2CNR1PIK3CDPIK3CAPIK3CG
SCHEMBL9891999 0.82 CNR2 (0.62) CNR2CNR1
SCHEMBL9891984 0.82 CNR2 (0.62) CNR2CNR1
SCHEMBL9892000 0.81 CNR2 (0.69) CNR2CNR1GCK
SCHEMBL9891985 0.81 CNR2 (0.69) CNR2CNR1GCK
SCHEMBL9891990 0.77 CNR2 (0.52) CNR2GCK
SCHEMBL9892003 0.77 CNR2 (0.52) CNR2GCK
SCHEMBL2576705 0.75 CNR2 (0.74) CNR2CNR1
SCHEMBL9892042 0.74 CNR2 (1.00) CNR2CNR1

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
WO-2010077836-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 WO disclosed