SCHEMBL21608064

SCHEMBL21608064

COc1cccc(C(C)N2CCC(Cc3cc(OC)nc(C(F)(F)F)c3)C2)n1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.36
LOXL2 Q9Y4K0 11/20 0.35
LOX P28300 5/20 0.35
KHK P50053 1/20 0.33
FFAR1 O14842 2/20 0.33
CCR5 P51681 1/20 0.33
CETP P11597 1/20 0.33

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
SCHEMBL21608061 1.00 MGLL (0.36) MGLLLOXL2LOXKHKFFAR1
SCHEMBL21608074 0.94 LOXL2 (0.39) MGLLLOXL2LOXKHKCETP
SCHEMBL21607991 0.93 MGLL (0.33) MGLLLOXL2FFAR1CCR5CETP
SCHEMBL21607983 0.93 MGLL (0.33) MGLLLOXL2FFAR1CCR5CETP
SCHEMBL21608177 0.89 MGLL (0.35) MGLLLOXL2LOXFFAR1CETP
SCHEMBL21608183 0.89 MGLL (0.35) MGLLLOXL2LOXFFAR1CETP
SCHEMBL21608202 0.86 KDM4E (0.34)
SCHEMBL21608201 0.86 KDM4E (0.34)
SCHEMBL21608034 0.86 KCNK3 (0.37) MGLLFFAR1CCR5
SCHEMBL21608031 0.86 KCNK3 (0.37) MGLLFFAR1CCR5

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