SCHEMBL28828482

SCHEMBL28828482

COc1c(F)cccc1-c1ccc2c(c1)CC(C)(C)C2OC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.38
LRRK2 Q5S007 1/20 0.36
RORC P51449 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
IL2 P60568 1/20 0.33
HTR2C P28335 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
BDKRB1 P46663 2/20 0.32
KRAS P01116 1/20 0.31
FFAR2 O15552 3/20 0.31
PIP4K2A P48426 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
F2R P25116 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
SCHEMBL28828631 0.89 ACMSD (0.37) LRRK2RORCHTR2CBDKRB1
SCHEMBL28828528 0.88 ADORA3 (0.38) CTSAFFAR4
SCHEMBL28828489 0.88 PGR (0.38) RORC
SCHEMBL28828526 0.86 RORC (0.37) CTSARORCBDKRB1
SCHEMBL28828362 0.85 BACE1 (0.40) CTSAFFAR2
SCHEMBL28828483 0.85 EDNRB (0.42) LRRK2FFAR2
SCHEMBL28828429 0.84 KDM1A (0.33) RORCSLC6A2SLC6A4
SCHEMBL29121265 0.83 AKR1C3 (0.38) CTSA
SCHEMBL28828390 0.83 FFAR1 (0.42)
SCHEMBL28828661 0.83 SCN9A (0.37) LRRK2RORCFFAR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114829361-B Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-07-16 CN claimed
CN-114829361-A Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing same 柳韩洋行 2022-07-29 CN claimed
CN-114829361-B Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-07-16 CN disclosed
CN-114829361-A Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing same 柳韩洋行 2022-07-29 CN disclosed