SCHEMBL30002533

SCHEMBL30002533

COc1cc(F)c(N)cc1OCc1c(OC)ccc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.43
GAA P10253 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
CACNA1C Q13936 1/20 0.38
KIT P10721 1/20 0.38
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
KDM1A O60341 2/20 0.35
TUBB1 Q9H4B7 1/20 0.35
PTGS2 P35354 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
PIK3CG P48736 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
SCHEMBL4301135 1.00 GNRHR (0.43) GNRHRGAAKDM4EMAPTCACNA1C
Hydrochloric Acid SCHEMBL30425693 0.99 GNRHR (0.43) GNRHRGAAKDM4EMAPTCACNA1C
Hydrochloric Acid SCHEMBL3100373 0.99 GNRHR (0.43) GNRHRGAAKDM4EMAPTCACNA1C
SCHEMBL13577264 0.94 MAPT (0.43) GNRHRGAAKDM4EMAPTCACNA1C
SCHEMBL13577265 0.91 CACNA1C (0.38) GNRHRGAAKDM4EMAPTCACNA1C
SCHEMBL30002430 0.91 GNRHR (0.38) GNRHRCACNA1CKITHTR2AHTR2C
SCHEMBL28892183 0.90 CACNA1C (0.39) GNRHRGAAKDM4EMAPTCACNA1C
SCHEMBL13577269 0.90 FLT1 (0.39) GNRHRGAAKDM4EMAPTCACNA1C
SCHEMBL13577210 0.89 PTGS2 (0.37) GNRHRGAAKDM4EMAPTCACNA1C
SCHEMBL3100037 0.88 NPC1 (0.44) GNRHRGAAKDM4EMAPTCACNA1C

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118440095-A Preparation method of GnRH receptor antagonist Linzagolix 中国药科大学 2024-08-06 CN claimed
CN-116178389-A Preparation method of linagoli 浙江科聚生物医药有限公司 2023-05-30 CN claimed
CN-121159412-A Synthesis method of 5- (2, 3-difluoro-6-methoxybenzyloxy) -2-fluoro-4-methoxyaniline 江西凯信生物医药有限公司 2025-12-19 CN disclosed
CN-121159412-A Synthesis method of 5- (2, 3-difluoro-6-methoxybenzyloxy) -2-fluoro-4-methoxyaniline 江西凯信生物医药有限公司 2025-12-19 CN disclosed
CN-118440095-A Preparation method of GnRH receptor antagonist Linzagolix 中国药科大学 2024-08-06 CN disclosed
CN-118440095-A Preparation method of GnRH receptor antagonist Linzagolix 中国药科大学 2024-08-06 CN disclosed
CN-115232144-B Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
CN-116178389-A Preparation method of linagoli 浙江科聚生物医药有限公司 2023-05-30 CN disclosed
CN-115232144-A Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-10-25 CN disclosed