SCHEMBL28959797

SCHEMBL28959797

CNc1ccc(OC(F)C(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APP P05067 16/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
KIF11 P52732 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 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
SCHEMBL3113605 0.83 MAPK1 (0.49) TSHRMAPK1KDM4EMAPT
SCHEMBL6466375 0.82 DRD1 (0.37) MAPT
SCHEMBL29190283 0.77 APP (0.41) APPMAPK1MAPT
Hydrochloric Acid SCHEMBL29190230 0.76 APP (0.40) APPMAPK1MAPT
SCHEMBL2095043 0.76 GLA (0.55) APPTSHRMAPK1KDM4EMAPT
SCHEMBL6524362 0.72 KIF11 (0.41) APPKIF11
SCHEMBL28806812 0.72 KIF11 (0.41) APPKIF11
SCHEMBL29162098 0.72 KDM4E (0.40) APPKDM4EMAPT
SCHEMBL28896114 0.72 P2RX3 (0.36) MAPT
SCHEMBL3976268 0.71 APP (0.57) APP

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-115677723-B 5-HT2A receptor antagonists and their use for treating central nervous system disorders 瀚远医药有限公司 2024-06-04 CN disclosed
CN-115850204-B Tetrahydrobenzothiophene derivative, and preparation method and application thereof 烟台大学 2024-01-19 CN disclosed
CN-115850204-A Tetrahydrobenzothiophene derivative and preparation method and application thereof 烟台大学 2023-03-28 CN disclosed
CN-113214289-B 5-HT2A receptor antagonists and their use for the treatment of central nervous system disorders 瀚远医药有限公司 2022-10-28 CN disclosed