SCHEMBL28828554

SCHEMBL28828554

CCC1(CC)Cc2cc(-c3cccc(OC)c3)ccc2C1OC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.41
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
SLC10A2 Q12908 1/20 0.39
MAOB P27338 3/20 0.38
KDM1A O60341 2/20 0.38
RCOR1 Q9UKL0 1/20 0.38
IKBKB O14920 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
DRD4 P21917 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
HTR5A P47898 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL28828407 0.92 RXRA (0.36) F2FFAR1FFAR4SLC10A2
SCHEMBL28828756 0.91 CHRNB2 (0.39) IKBKBEDNRBEDNRANAAAHDAC4
SCHEMBL28828472 0.90 RXRA (0.46) FFAR1
SCHEMBL28828533 0.89 RXRA (0.44) FFAR4
SCHEMBL28828421 0.87 PDE4B (0.40)
SCHEMBL28828709 0.87 F2R (0.40) MAOBKDM1ARCOR1HTR2CMAOA
SCHEMBL28828587 0.86 CYP1A1 (0.42) PLAUPLAT
SCHEMBL28828723 0.86 BCL2 (0.42) F2FFAR1
SCHEMBL28828539 0.85 F2 (0.42) F2PLGPLAUPLATCHEK2
SCHEMBL28828665 0.85 RXRA (0.34) MMP9

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