SCHEMBL4661336

SCHEMBL4661336

C[C@H](O)c1ccccc1NCc1ccc(Oc2ccccc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.43
OPRM1 P35372 5/20 0.42
OPRD1 P41143 5/20 0.42
OPRK1 P41145 2/20 0.41
CTSA P10619 2/20 0.41
GRN P28799 2/20 0.41
SORT1 Q99523 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACACA Q13085 2/20 0.41
KDM4C Q9H3R0 1/20 0.40
CACNA1B Q00975 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4661344 0.77 OPRM1 (0.42) ACACBOPRM1OPRD1OPRK1MAPT
SCHEMBL10490374 0.76 HSD17B10 (0.50) MAPTKDM4EL3MBTL1
SCHEMBL1845851 0.76 FFAR1 (0.47) ACACBOPRM1OPRD1MAPTKDM4E
SCHEMBL4661365 0.75 ACACB (0.43) ACACBOPRM1OPRD1OPRK1CTSA
SCHEMBL2457278 0.73 CASR (0.46) ACACBOPRM1OPRD1OPRK1CTSA
SCHEMBL3348544 0.73 CASR (0.46) ACACBOPRM1OPRD1OPRK1CTSA
SCHEMBL12775823 0.72 ACACB (0.50) ACACBOPRM1OPRD1OPRK1GRN
SCHEMBL4342037 0.72 LMNA (0.53) OPRM1OPRD1OPRK1KDM4EL3MBTL1
SCHEMBL4661227 0.71 MEN1 (0.42) MAPTKDM4EGAAL3MBTL1
SCHEMBL510046 0.70 LTA4H (0.58) ACACBOPRM1OPRD1OPRK1GRN

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