SCHEMBL28580893

SCHEMBL28580893

CNc1cc(OC2CCC2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.44
GRM5 P41594 3/20 0.43
ABL1 P00519 2/20 0.42
AXL P30530 2/20 0.41
MERTK Q12866 2/20 0.41
PROKR1 Q8TCW9 2/20 0.39
LRRK2 Q5S007 1/20 0.38
LNPEP Q9UIQ6 3/20 0.37
LOX P28300 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
JAK3 P52333 1/20 0.37
TYRO3 Q06418 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL26548746 0.79 FDPS (0.48) FDPSGRM5PROKR1LNPEP
SCHEMBL12093734 0.78 GRM5 (0.45) FDPSGRM5ABL1AXLMERTK
SCHEMBL12247661 0.75 GRM5 (0.45) FDPSGRM5AXLMERTKLRRK2
SCHEMBL17396860 0.75 LOX (0.40) FDPSGRM5ABL1LRRK2LNPEP
SCHEMBL31403631 0.75 NOS3 (0.52) FDPSABL1LNPEPLOXLOXL2
SCHEMBL13791457 0.73 GRM5 (0.46) GRM5ABL1AXLMERTKLRRK2
SCHEMBL3927522 0.73 CCR1 (0.57) PROKR1
SCHEMBL30496425 0.73 CCR1 (0.57) PROKR1
SCHEMBL190625 0.72 GRM5 (0.51) GRM5PIK3C3
SCHEMBL2379178 0.71 LNPEP (0.46) FDPSABL1LNPEPLOXLOXL2

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
CN-112166113-A Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2021-01-01 CN disclosed