SCHEMBL28645681

SCHEMBL28645681

CNc1cc(OC(F)(F)F)cc(C2CC2)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MGLL Q99685 1/20 0.33
EPHX2 P34913 4/20 0.33
SLC6A4 P31645 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
HCRTR2 O43614 2/20 0.31
EPHX1 P07099 1/20 0.31
GALR2 O43603 1/20 0.31
GALR1 P47211 1/20 0.31
SCN9A Q15858 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MAP4K1 Q92918 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
PDE2A O00408 1/20 0.31

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
Hydrochloric Acid SCHEMBL28646878 0.92 L3MBTL1 (0.36) DHODHL3MBTL1EPHX2SLC6A4EPHX1
SCHEMBL2091142 0.80 L3MBTL1 (0.42) L3MBTL1EPHX2
SCHEMBL28642986 0.78 SLC18A3 (0.36)
SCHEMBL16958778 0.78 FFAR4 (0.38) DHODHL3MBTL1MGLLTRPV1HCRTR2
SCHEMBL16958775 0.76 TRPV1 (0.33) DHODHL3MBTL1MGLLEPHX2TRPV1
SCHEMBL28926824 0.75 CNR2 (0.34)
SCHEMBL28637820 0.75 TSHR (0.32)
SCHEMBL28637837 0.75 NOTUM (0.43)
SCHEMBL26740975 0.74 GPR3 (0.38) L3MBTL1EPHX2
SCHEMBL28109133 0.74 FFAR4 (0.40) L3MBTL1EPHX2

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-113412113-A Aminooxazine amides 豪夫迈·罗氏有限公司 2021-09-17 CN disclosed