SCHEMBL28828476

SCHEMBL28828476

CCC1(CC)Cc2cc(-c3ccc(OC)cc3F)ccc2C1OC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
KLKB1 P03952 1/20 0.37
CTSA P10619 3/20 0.37
FFAR1 O14842 4/20 0.37
PRKCZ Q05513 1/20 0.36
APP P05067 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM1A O60341 2/20 0.35
KDM1B Q8NB78 2/20 0.35
GRM2 Q14416 2/20 0.35
ERN1 O75460 1/20 0.35
USP7 Q93009 1/20 0.35
CPS1 P31327 1/20 0.34

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
SCHEMBL28828587 0.90 CYP1A1 (0.42) CTSACYP2C19ERN1
SCHEMBL28828711 0.87 TDP2 (0.43) CTSA
SCHEMBL28828754 0.87 AKR1C3 (0.38) AKR1C3AKR1C2KLKB1CTSAFFAR1
SCHEMBL29121265 0.87 AKR1C3 (0.38) AKR1C3AKR1C2KLKB1CTSAFFAR1
SCHEMBL28828756 0.87 CHRNB2 (0.39)
SCHEMBL28828554 0.85 F2 (0.41) FFAR1KDM1A
SCHEMBL28828407 0.83 RXRA (0.36) FFAR1CYP2C19
SCHEMBL29121229 0.83 GRM2 (0.41) AKR1C3AKR1C2KLKB1CTSAFFAR1
SCHEMBL29228297 0.83 GRM2 (0.41) AKR1C3AKR1C2KLKB1CTSAFFAR1
SCHEMBL28828450 0.81 KDM1A (0.36) KLKB1KDM1A

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