SCHEMBL3752729

SCHEMBL3752729

CC(C)(C)c1cc(C(=O)O)c(NC(=O)C23CC4CC2C[C@@H](C4)C3)s1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.41
CNR1 P21554 4/20 0.41
RPS6KB1 P23443 2/20 0.41
ADORA1 P30542 1/20 0.39
P2RX7 Q99572 1/20 0.36
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GRIN2C Q14957 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAPK14 Q16539 1/20 0.33

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
SCHEMBL4095389 1.00 CNR2 (0.41) CNR2CNR1RPS6KB1ADORA1P2RX7
SCHEMBL3648724 0.85 CNR2 (0.47) CNR2CNR1KDM4EMAPK14
SCHEMBL4090663 0.85 CNR2 (0.45) CNR2CNR1RPS6KB1MAPK14
SCHEMBL4086454 0.84 CNR2 (0.58) CNR2CNR1ADORA1P2RX7NPSR1
SCHEMBL3804786 0.84 CNR2 (0.58) CNR2CNR1ADORA1P2RX7NPSR1
SCHEMBL3646430 0.84 CNR2 (0.57) CNR2CNR1RPS6KB1ADORA1
SCHEMBL4094982 0.83 CNR2 (0.53) CNR2CNR1RPS6KB1MAPK14
SCHEMBL4091428 0.81 CNR2 (0.50) CNR2CNR1ADORA1KDM4ENPC1
SCHEMBL3749679 0.78 CNR2 (0.62) CNR2ADORA1NPSR1KDM4ENPC1
SCHEMBL3746177 0.76 CNR2 (0.51) CNR2CNR1ADORA1P2RX7NPSR1

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