SCHEMBL4699677

SCHEMBL4699677

O=C(c1ccc(-c2ccccc2Cl)c(Cl)c1)N1CCOC(c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.48
SCD5 Q86SK9 1/20 0.47
PDE2A O00408 5/20 0.45
NAMPT P43490 1/20 0.44
PKM P14618 1/20 0.44
PLA2G7 Q13093 1/20 0.44
HPGD P15428 2/20 0.43
USP30 Q70CQ3 2/20 0.42
EIF4A3 P38919 1/20 0.41

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
SCHEMBL4462669 0.88 CNR2 (0.60) CNR2SCD5PDE2ANAMPTUSP30
SCHEMBL4465522 0.83 CNR2 (0.62) CNR2SCD5PDE2ANAMPTUSP30
SCHEMBL1710753 0.77 USP30 (0.50) PDE2ANAMPTHPGDUSP30
SCHEMBL4489016 0.77 NPC1 (0.49) PDE2ANAMPTHPGDUSP30
SCHEMBL23901474 0.76 SPR (0.48) CNR2SCD5PDE2ANAMPTUSP30
SCHEMBL487499 0.75 KDM4E (0.45) CNR2PDE2AUSP30
SCHEMBL4699680 0.74 CNR2 (0.47) CNR2PDE2AUSP30
SCHEMBL23901483 0.74 USP30 (0.45) CNR2SCD5HPGDUSP30
SCHEMBL4472712 0.74 CNR2 (0.61) CNR2SCD5PDE2ANAMPTUSP30
SCHEMBL4730362 0.73 USP30 (0.55) CNR2PDE2AUSP30

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-1966132-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-10 EP disclosed
WO-2007070760-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 WO disclosed