SCHEMBL21608085

SCHEMBL21608085

COc1cccc(C(C)N2CCC(Cc3ccnc(OC(C)C)c3)C2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
LOX P28300 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
OGA O60502 2/20 0.32
EED O75530 1/20 0.32
KIT P10721 1/20 0.32
HTR1A P08908 1/20 0.31
SLC6A4 P31645 1/20 0.31
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
ACACB O00763 3/20 0.31
KCNH2 Q12809 1/20 0.31
GHSR Q92847 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL21608081 1.00 ATR (0.34) ATRHCRTR1HCRTR2LOXLOXL2
SCHEMBL21608004 0.94 LOX (0.37) LOXLOXL2OGAEEDHTR1A
SCHEMBL21608003 0.94 LOX (0.37) LOXLOXL2OGAEEDHTR1A
SCHEMBL21608533 0.91 KCNA5 (0.33) LOXLOXL2OGAEEDKIT
SCHEMBL21608534 0.91 KCNA5 (0.33) LOXLOXL2OGAEEDKIT
SCHEMBL21608183 0.85 MGLL (0.35) LOXLOXL2OGAMGLL
SCHEMBL21608177 0.85 MGLL (0.35) LOXLOXL2OGAMGLL
SCHEMBL21608201 0.82 KDM4E (0.34) OGAEEDHTR1ASLC6A4TSHR
SCHEMBL21608202 0.82 KDM4E (0.34) OGAEEDHTR1ASLC6A4TSHR
SCHEMBL21608569 0.81 TRPV6 (0.37) OGAKCNH2GHSR

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
WO-2019243531-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed