SCHEMBL28828591

SCHEMBL28828591

CC1(C)Cc2cc(-c3cccc(F)c3)ccc2C1OC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2R P25116 7/20 0.42
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
ESR2 Q92731 1/20 0.36
HTR2C P28335 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
MAP4K4 O95819 1/20 0.36
CHEK2 O96017 1/20 0.36
ICMT O60725 2/20 0.35
PGR P06401 1/20 0.35
NQO2 P16083 1/20 0.35
OTUD7B Q6GQQ9 1/20 0.35

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
SCHEMBL28828530 0.92 F2R (0.40) F2RCA1CA2TAAR1ESR2
SCHEMBL28828556 0.92 F2R (0.35) F2RPGR
SCHEMBL28828426 0.90 KDM1A (0.39) F2R
SCHEMBL29228176 0.88 F2R (0.41) F2RTAAR1ESR2HTR2CPARP10
SCHEMBL28828698 0.88 IKBKB (0.38)
SCHEMBL28828538 0.87 SSTR2 (0.35) F2R
SCHEMBL28828667 0.87 SLC6A3 (0.37) F2R
SCHEMBL28828604 0.87 CYP17A1 (0.33) F2RPGR
SCHEMBL28950175 0.86 F2R (0.37) F2RCA1CA2CHEK2
SCHEMBL28828495 0.86 PGR (0.41) CA1CA2ESR2PARP10PARP11

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