SCHEMBL28828384

SCHEMBL28828384

CCCOc1ccc(F)cc1-c1ccc2c(c1)CC(C)(C)C2OC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
HTR2A P28223 1/20 0.38
FFAR4 Q5NUL3 4/20 0.37
ABL1 P00519 3/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
PIN1 Q13526 1/20 0.33
BCL9 O00512 4/20 0.33
CTNNB1 P35222 4/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RORC P51449 1/20 0.33
SCN9A Q15858 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 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
SCHEMBL28828736 0.95 FFAR4 (0.36) HTR2CHTR2BHTR2AFFAR4ABL1
SCHEMBL28828480 0.93 HTR2C (0.36) HTR2CHTR2BHTR2AFFAR4MAPT
SCHEMBL28828475 0.92 FFAR4 (0.44) FFAR4ABL1PIN1MAPT
SCHEMBL28828576 0.87 BTK (0.39) HTR2CHTR2BHTR2AFFAR4MAPT
SCHEMBL29121340 0.87 BTK (0.39) HTR2CHTR2BHTR2AFFAR4MAPT
SCHEMBL28828616 0.87 PIN1 (0.43) FFAR4ABL1PIN1
SCHEMBL28828594 0.85 ABL1 (0.45) FFAR4ABL1PIN1
SCHEMBL28828575 0.85 KMT2A (0.36)
SCHEMBL29121275 0.84 MAPT (0.36) MAPTHSD17B10
SCHEMBL28828714 0.84 ABL1 (0.37) ABL1RORC

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