SCHEMBL29587253

SCHEMBL29587253

COc1cc(F)cc2c1C(O)CNC2

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
MAOB P27338 1/20 0.30

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
SCHEMBL21326102 1.00 HTR2A (0.31) HTR2AHTR2CHTR2BMAOB
SCHEMBL29507238 0.82 HTR2C (0.36) HTR2AHTR2CHTR2B
SCHEMBL21326101 0.82 SLC6A4 (0.36) HTR2AHTR2CHTR2B
SCHEMBL22858964 0.82 HTR2C (0.36) HTR2AHTR2CHTR2B
SCHEMBL29586528 0.82 SLC6A4 (0.36) HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL31597892 0.81 HTR2C (0.35) HTR2AHTR2CHTR2B
SCHEMBL21339876 0.78
SCHEMBL38655284 0.76
SCHEMBL21326037 0.76 MAOA (0.36)
SCHEMBL29586596 0.76 MAOA (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115297861-B Compounds and uses thereof 福宏治疗公司 2024-07-12 CN disclosed
CN-115297861-A Compound and use thereof 福宏治疗公司 2022-11-04 CN disclosed
CN-109863145-B Novel tetrahydroisoquinoline and tetrahydronaphthyridine compounds for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2022-04-12 CN disclosed