SCHEMBL28828530

SCHEMBL28828530

CC1(C)Cc2ccc(-c3cccc(F)c3)cc2C1OC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.40
HTR2C P28335 1/20 0.38
PGR P06401 4/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
ESR2 Q92731 1/20 0.35
PAX8 Q06710 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
MAP4K4 O95819 1/20 0.35
CHEK2 O96017 1/20 0.35
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
ICMT O60725 1/20 0.34

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
SCHEMBL28828591 0.92 F2R (0.42) F2RHTR2CPGRCA1CA2
SCHEMBL28828657 0.91 PGR (0.34) F2RPGRCTSDBACE1
SCHEMBL28950173 0.89 KLKB1 (0.36) HTR2CPGR
SCHEMBL29228377 0.89 F2R (0.41) F2RHTR2CPGRTAAR1ESR2
SCHEMBL28828373 0.86 PGR (0.43) PGRCA1CA2ESR2PARP10
SCHEMBL28828437 0.86 PGR (0.34) PGR
SCHEMBL28950175 0.85 F2R (0.37) F2RCA1CA2CHEK2
SCHEMBL28828505 0.85 KIF11 (0.44) PARP10PARP11CTSDBACE1
SCHEMBL28828622 0.84 BACE1 (0.41) BACE1
SCHEMBL28828381 0.83 KIF11 (0.34) PGRICMT

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