SCHEMBL4013577

SCHEMBL4013577

CC(C)(C(=O)Nc1ccc(C(F)(F)F)cn1)S(=O)(=O)CC1CCOCC1.CC(C)(C(=O)Nc1cccc(C(F)(F)F)n1)S(=O)(=O)CC1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.46
CNR1 P21554 3/20 0.46
NPY5R Q15761 1/20 0.42
GAA P10253 1/20 0.41
RORC P51449 1/20 0.41
CTPS1 P17812 4/20 0.41
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
CTPS2 Q9NRF8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
CCR6 P51684 2/20 0.38
EPHX2 P34913 1/20 0.38
GCK P35557 1/20 0.38
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KCNJ8 Q15842 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL1619860 0.91 CNR2 (0.51) CNR2CNR1NPY5RGAACTPS1
SCHEMBL1621239 0.91 CNR2 (0.53) CNR2CNR1RORCCTPS1
SCHEMBL1618845 0.84 NPY5R (0.53) CNR2CNR1NPY5RGAACTPS1
SCHEMBL1621285 0.82 NPY5R (0.52) CNR2CNR1NPY5RGAACCR6
SCHEMBL1621338 0.82 NPY5R (0.51) CNR2CNR1NPY5RGAACCR6
SCHEMBL1619579 0.80 NPY5R (0.49) CNR2CNR1NPY5RGAACCR6
SCHEMBL4013229 0.79 CNR2 (0.56) CNR2CNR1
SCHEMBL1620784 0.79 CNR2 (0.53) CNR2CNR1GCKNPC1RAB9A
SCHEMBL1620990 0.77 CNR2 (0.52) CNR2CNR1GAARORCL3MBTL1
SCHEMBL4012907 0.77 NPY5R (0.46) CNR2CNR1NPY5RGAACTPS1

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-2074084-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-01 EP disclosed
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 WO disclosed