SCHEMBL28828548

SCHEMBL28828548

CC1(C)Cc2ccc(-c3ccc(OC(F)F)cc3)cc2C1OC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.37
DRD1 P21728 2/20 0.35
BACE1 P56817 3/20 0.35
GRM2 Q14416 1/20 0.35
PTGER4 P35408 1/20 0.34
ABL1 P00519 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
CTSD P07339 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A4 P31645 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32

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
SCHEMBL28828654 0.92 KDM4E (0.37) KDM4EGAADRD1BACE1GRM2
SCHEMBL29228231 0.89 KDM4E (0.34) KDM4EGAADRD1BACE1GRM2
SCHEMBL28950173 0.86 KLKB1 (0.36)
SCHEMBL28828515 0.85 PPIB (0.40) BACE1ABL1SLC6A4
SCHEMBL28828381 0.84 KIF11 (0.34) KDM4EABL1ALDH1A1MEN1KMT2A
SCHEMBL29228354 0.84 STS (0.35) KDM4EGAADRD1BACE1GRM2
SCHEMBL29264820 0.84 PIK3CD (0.30) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL28828623 0.83 JAK2 (0.35) L3MBTL1MEN1KMT2A
SCHEMBL28828684 0.83 KIF11 (0.43) SIGMAR1
SCHEMBL28828437 0.82 PGR (0.34) DYRK1A

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