SCHEMBL28828633

SCHEMBL28828633

CCc1ccc(-c2cc3c(cc2F)C(OC(N)=O)C(C)(C)C3)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
FFAR4 Q5NUL3 12/20 0.33
S1PR1 P21453 1/20 0.32
S1PR5 Q9H228 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FAAH O00519 1/20 0.31
RARB P10826 1/20 0.31
APP P05067 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL29121290 1.00 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3FFAR4S1PR1
SCHEMBL28828611 0.92 FFAR4 (0.36) SLC6A2SLC6A4SLC6A3FFAR4S1PR1
SCHEMBL29121155 0.92 FFAR4 (0.36) SLC6A2SLC6A4SLC6A3FFAR4S1PR1
SCHEMBL29121360 0.90 RARB (0.41) FFAR4S1PR1RARB
SCHEMBL28828449 0.90 RARB (0.41) FFAR4S1PR1RARB
SCHEMBL29121223 0.90 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3FFAR4S1PR1
SCHEMBL29121248 0.89 BCL2 (0.34) FFAR4
SCHEMBL28828600 0.89 EPHX1 (0.36) SLC6A2SLC6A4SLC6A3FFAR4S1PR1
SCHEMBL29121206 0.89 EPHX1 (0.36) SLC6A2SLC6A4SLC6A3FFAR4S1PR1
SCHEMBL28828651 0.89 BCL2 (0.34) FFAR4

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