SCHEMBL28828701

SCHEMBL28828701

CC1(C)Cc2cc(-c3ccccc3C(F)(F)F)ccc2C1OC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.41
SCN10A Q9Y5Y9 1/20 0.38
OPRD1 P41143 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37
STS P08842 1/20 0.37
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
EPHX2 P34913 1/20 0.35
AR P10275 1/20 0.35
BACE1 P56817 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
SCHEMBL28828369 0.92 SCN9A (0.41) SCN9ASCN10AOPRD1CAMKK2STS
SCHEMBL28828551 0.91 PTPN11 (0.37) SCN9ASTS
SCHEMBL29228270 0.90 SCN9A (0.40) SCN9ASCN10AOPRD1CAMKK2STS
SCHEMBL28828402 0.86 SCN9A (0.44) SCN9ASCN10AOPRD1
SCHEMBL28828631 0.86 ACMSD (0.37) OPRD1
SCHEMBL28828661 0.84 SCN9A (0.37) SCN9AOPRD1
SCHEMBL28828483 0.84 EDNRB (0.42) CAMKK2BACE1
SCHEMBL28828448 0.84 KDM6B (0.38) FFAR4
SCHEMBL29228305 0.83 SCN9A (0.40) SCN9ASCN10AOPRD1CAMKK2STS
SCHEMBL28828662 0.82 KIF11 (0.43)

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