SCHEMBL4012907

SCHEMBL4012907

CC(C)(C(=O)Nc1ccc(C(F)(F)F)cn1)S(=O)(=O)C1CCCCCC1.CC(C)(C(=O)Nc1ccc(C(F)(F)F)cn1)S(=O)(=O)CC1CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.46
GCK P35557 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
EPHX2 P34913 1/20 0.39
PTGS1 P23219 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CCR6 P51684 3/20 0.38
CTPS1 P17812 1/20 0.37
CTPS2 Q9NRF8 1/20 0.37
PPARD Q03181 1/20 0.37
HCRTR1 O43613 2/20 0.37
FPR2 P25090 3/20 0.37
GAA P10253 2/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL1621338 0.92 NPY5R (0.51) NPY5RGCKCNR1CNR2EPHX2
SCHEMBL1621229 0.91 NPY5R (0.53) NPY5RGCKCNR1CNR2EPHX2
SCHEMBL1618845 0.91 NPY5R (0.53) NPY5RGCKCNR1CNR2EPHX2
SCHEMBL1621445 0.91 NPY5R (0.53) NPY5RGCKCNR1CNR2EPHX2
SCHEMBL1620950 0.90 NPY5R (0.54) NPY5RGCKCNR1CNR2EPHX2
SCHEMBL4011949 0.90 CNR2 (0.55) NPY5RGCKCNR1CNR2
SCHEMBL1621285 0.89 NPY5R (0.52) NPY5RGCKCNR1CNR2EPHX2
SCHEMBL1619579 0.84 NPY5R (0.49) NPY5RGCKCNR1CNR2EPHX2
SCHEMBL1619860 0.84 CNR2 (0.51) NPY5RGCKCNR1CNR2EPHX2
SCHEMBL4013229 0.82 CNR2 (0.56) CNR1CNR2

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