SCHEMBL13618121

SCHEMBL13618121

COc1cc(COc2cccc(C)n2)cc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.46
ABCB1 P08183 2/20 0.45
GRM5 P41594 2/20 0.45
PDE2A O00408 1/20 0.45
GABRA5 P31644 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
APP P05067 1/20 0.42
PIK3CD O00329 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
SCHEMBL8264411 0.83 MAOB (0.44) MAOBABCB1PDE2AMAPTHTT
SCHEMBL8265170 0.83 MAOB (0.48) MAOBABCB1PDE2AMAPTHTT
SCHEMBL91372 0.82 MAOB (0.43) MAOBABCB1PDE2AMAPTHTT
SCHEMBL78450 0.81 MAOB (0.43) MAOBABCB1PDE2AMAPTHTT
SCHEMBL8262885 0.80 ENPP2 (0.47) MAOBABCB1PDE2AAPPPIK3CD
SCHEMBL1563576 0.78 GABRA5 (0.55) MAOBGRM5GABRA5MAPTHTT
SCHEMBL27383565 0.78 IDO1 (0.51) MAOBGRM5GABRA5MAPT
SCHEMBL24265294 0.76 GABRA5 (0.46) ABCB1GRM5GABRA5
SCHEMBL23920187 0.74 GABRA5 (0.45) MAOBGRM5GABRA5
SCHEMBL8288265 0.74 KCNH2 (0.49) MAOBGRM5MAPTSMN1; SMN2APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP disclosed