SCHEMBL3797476

SCHEMBL3797476

CCOC(=O)c1c(C)csc1NC(=O)C12CC3CC1C[C@@H](C3)C2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.51
CNR1 P21554 7/20 0.51
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
MAPK8 P45983 2/20 0.40
MAPK9 P45984 2/20 0.40
MAPK10 P53779 2/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39

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
SCHEMBL4084849 1.00 CNR2 (0.51) CNR2CNR1MEN1KMT2AATM
SCHEMBL3813611 0.87 MAPK8 (0.56) CNR2CNR1MEN1KMT2AATM
SCHEMBL4085846 0.87 MAPK8 (0.56) CNR2CNR1MEN1KMT2AATM
SCHEMBL4080526 0.86 MAPK8 (0.52) CNR2CNR1MEN1KMT2AATM
SCHEMBL3743041 0.85 CNR2 (0.46) CNR2CNR1MAPT
SCHEMBL3756414 0.85 CNR2 (0.64) CNR2MEN1KMT2APOLBALDH1A1
SCHEMBL4095706 0.83 TP53 (0.64) CNR2TP53POLBALDH1A1GAA
SCHEMBL3808536 0.83 CNR2 (0.66) CNR2CNR1MEN1KMT2ATP53
SCHEMBL4084439 0.83 CNR2 (0.66) CNR2CNR1MEN1KMT2ATP53
SCHEMBL4084850 0.82 L3MBTL1 (0.56) CNR2MEN1KMT2ATP53POLB

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-2176219-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-04-21 EP disclosed
WO-2009009550-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-01-15 WO disclosed