SCHEMBL28828480

SCHEMBL28828480

CCCOc1cc(F)ccc1-c1ccc2c(c1)CC(C)(C)C2OC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
HTR2A P28223 1/20 0.36
FFAR4 Q5NUL3 4/20 0.35
NLRP3 Q96P20 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
RORC P51449 1/20 0.33
SCN9A Q15858 1/20 0.33
F2R P25116 1/20 0.33
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CTSA P10619 1/20 0.32
HPSE Q9Y251 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 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
SCHEMBL28828384 0.93 HTR2C (0.38) HTR2CHTR2BHTR2AFFAR4RORC
SCHEMBL28828575 0.89 KMT2A (0.36) FNTAFNTBPGGT1B
SCHEMBL28828736 0.89 FFAR4 (0.36) HTR2CHTR2BHTR2AFFAR4RORC
SCHEMBL28828386 0.87 CTSA (0.38) CTSA
SCHEMBL28828576 0.86 BTK (0.39) HTR2CHTR2BHTR2AFFAR4RORC
SCHEMBL29121340 0.86 BTK (0.39) HTR2CHTR2BHTR2AFFAR4RORC
SCHEMBL28950174 0.86 PDE4D (0.36) HTR2CHTR2BHTR2AFFAR4RORC
SCHEMBL28828475 0.85 FFAR4 (0.44) FFAR4MAPT
SCHEMBL28828624 0.85 TDP2 (0.41) HSD17B10
SCHEMBL28828553 0.84 ABL1 (0.39) FFAR4F2RCTSA

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