SCHEMBL4661367

SCHEMBL4661367

CN(Cc1ccc(Oc2ccccc2)nc1)c1ccccc1CCO

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.42
ACACA Q13085 5/20 0.42
GRN P28799 1/20 0.41
SORT1 Q99523 1/20 0.41
OPRM1 P35372 4/20 0.39
OPRD1 P41143 4/20 0.39
LIPE Q05469 1/20 0.39
OPRK1 P41145 2/20 0.37
MPO P05164 1/20 0.37
ADAMTS4 O75173 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
ADAMTS5 Q9UNA0 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
SCHEMBL4662731 0.79 PTPN1 (0.34) MMP2MMP13
SCHEMBL4661365 0.79 ACACB (0.43) ACACBACACAGRNSORT1OPRM1
SCHEMBL13508844 0.78 ACACB (0.47) ACACBACACAGRNSORT1OPRM1
SCHEMBL28339089 0.77 TDP1 (0.45)
SCHEMBL4661344 0.74 OPRM1 (0.42) ACACBACACAOPRM1OPRD1OPRK1
SCHEMBL4661233 0.72 HIF1A (0.40)
SCHEMBL510046 0.72 LTA4H (0.58) ACACBGRNSORT1OPRM1OPRD1
SCHEMBL4661308 0.72 ALDH1A1 (0.39)
SCHEMBL4342586 0.71 MEN1 (0.51) ACACBGRNSORT1LIPE
SCHEMBL4662703 0.71 JAK2 (0.40)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007707-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2008-12-31 EP claimed
WO-2007118041-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO claimed
EP-2007707-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2008-12-31 EP disclosed
WO-2007118041-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed