SCHEMBL28828736

SCHEMBL28828736

CCCCOc1ccc(F)cc1-c1ccc2c(c1)CC(C)(C)C2OC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.36
CNR2 P34972 1/20 0.35
RARB P10826 3/20 0.35
RARG P13631 3/20 0.35
RARA P10276 2/20 0.35
ABL1 P00519 2/20 0.34
HTR2C P28335 4/20 0.33
HTR2B P41595 2/20 0.33
RORC P51449 1/20 0.33
HTR2A P28223 1/20 0.33
PIN1 Q13526 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
FAAH O00519 1/20 0.33
PTPN11 Q06124 1/20 0.33
BCL9 O00512 1/20 0.32
CTNNB1 P35222 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
SCHEMBL28828384 0.95 HTR2C (0.38) FFAR4ABL1HTR2CHTR2BRORC
SCHEMBL28828475 0.92 FFAR4 (0.44) FFAR4ABL1PIN1
SCHEMBL28828480 0.89 HTR2C (0.36) FFAR4HTR2CHTR2BRORCHTR2A
SCHEMBL28828616 0.86 PIN1 (0.43) FFAR4ABL1PIN1
SCHEMBL28828441 0.84 BACE1 (0.39) HTR2C
SCHEMBL29121332 0.84 BACE1 (0.39) HTR2C
SCHEMBL28828594 0.84 ABL1 (0.45) FFAR4ABL1PIN1PTGDR2
SCHEMBL28828714 0.83 ABL1 (0.37) ABL1RORC
SCHEMBL28828576 0.83 BTK (0.39) FFAR4HTR2CHTR2BRORCHTR2A
SCHEMBL28828719 0.82 ABL1 (0.39) ABL1

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