SCHEMBL29664692

SCHEMBL29664692

COc1cc(C(F)(F)CO)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
SORT1 Q99523 1/20 0.40
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
FFAR1 O14842 1/20 0.35
SLC13A5 Q86YT5 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NR2E1 Q9Y466 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
GAA P10253 2/20 0.33
NOS3 P29474 2/20 0.33
NOS2 P35228 2/20 0.33
AAK1 Q2M2I8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SCN10A Q9Y5Y9 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
SCHEMBL23215152 1.00 LOX (0.45) LOXLOXL2SORT1GABRA1GABRG2
SCHEMBL23215087 0.84 LOX (0.41) LOXLOXL2SORT1GABRA1GABRG2
SCHEMBL29664670 0.84 LOX (0.41) LOXLOXL2SORT1GABRA1GABRG2
SCHEMBL31121348 0.80 NOS3 (0.52) LOXLOXL2SORT1GABRA1GABRG2
SCHEMBL677234 0.80 NOS3 (0.52) LOXLOXL2SORT1GABRA1GABRG2
SCHEMBL23216720 0.80 FFAR1 (0.48) LOXLOXL2SORT1FFAR1SLC13A5
SCHEMBL29664623 0.80 FFAR1 (0.48) LOXLOXL2SORT1FFAR1SLC13A5
SCHEMBL30947592 0.79 LOX (0.46) LOXLOXL2SORT1GABRA1GABRG2
SCHEMBL14768850 0.79 LOX (0.46) LOXLOXL2SORT1GABRA1GABRG2
SCHEMBL28781272 0.78 LOX (0.41) LOXLOXL2SORT1GABRA1GABRG2

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-114729044-A Muscarinic acetylcholine M1Receptor antagonists 帕珀莱恩医疗公司 2022-07-08 CN disclosed