SCHEMBL4661344

SCHEMBL4661344

OCCc1ccccc1NCc1ccc(Oc2ccccc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.42
OPRD1 P41143 9/20 0.42
OPRK1 P41145 7/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ACACB O00763 3/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GRIN1 Q05586 1/20 0.41
KCNH2 Q12809 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
ROCK1 Q13464 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
ABCB1 P08183 3/20 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
SCHEMBL13508844 0.80 ACACB (0.47) OPRM1OPRD1OPRK1ACACBGRIN2D
SCHEMBL4661336 0.77 ACACB (0.43) OPRM1OPRD1OPRK1KDM4EGAA
SCHEMBL3159306 0.75 HSD17B10 (0.52) KDM4EGAAMAPTL3MBTL1ABCB1
SCHEMBL4661367 0.74 ACACB (0.42) OPRM1OPRD1OPRK1ACACBMPO
SCHEMBL510046 0.74 LTA4H (0.58) OPRM1OPRD1OPRK1ACACBGRIN2D
SCHEMBL4661230 0.70 MEN1 (0.44) KDM4EMAPTL3MBTL1ABCB1ABCG2
SCHEMBL1845851 0.69 FFAR1 (0.47) OPRM1OPRD1KDM4EGAAMAPT
SCHEMBL10483917 0.69 OPRM1 (0.55) OPRM1OPRD1OPRK1ACACBGRIN2D
SCHEMBL28804944 0.68 ACACB (0.44) OPRM1OPRD1OPRK1ACACBGRIN2D
SCHEMBL15177164 0.68 ACACB (0.47) OPRM1OPRD1OPRK1ACACBGRIN2D

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-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