SCHEMBL9681546

SCHEMBL9681546

[O-][S+]1c2ccc(F)cc2C=Cc2ccc(CO)cc21

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL9680839 0.81 TSHR (0.33)
SCHEMBL11098389 0.78 TTR (0.40)
SCHEMBL11009017 0.75 BCL2L1 (0.38)
SCHEMBL11012595 0.75 KDM4E (0.32)
SCHEMBL11004711 0.73 MEN1 (0.34)
SCHEMBL10975405 0.73 CYP1A2 (0.38)
SCHEMBL9681467 0.72 KCNH2 (0.33) SLC6A2SLC6A4
SCHEMBL9682101 0.67 GPR84 (0.33) SLC6A2SLC6A4
SCHEMBL9680854 0.65 CHEK1 (0.41) SLC6A2SLC6A4
SCHEMBL8499490 0.64 CYP1A2 (0.48) SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0463636-A2 Cardiovascular composition MERCK FROSST CANADA INC. (CA) 1992-01-02 EP claimed
EP-0166257-A2 Cardiovascular composition MERCK FROSST CANADA INC. (CA) 1986-01-02 EP claimed
EP-0029587-A1 3-Hydroxymethyldibenzo(b,f)thiepins and dibenzo(b,f)thiepin-3-carboxaldehydes as prostaglandin antagonists, process for their preparation and pharmaceutical compositions MERCK SHARP & DOHME (I.A.) CORP. (US) 1981-06-03 EP claimed
US-4237160-A 3-Hydroxymethyldibenzo[b,f]thiepins as prostaglandin antagonists MERCK SHARP & DOHME (I.A.) CORP. (US) 1980-12-02 US claimed
EP-0463636-A2 Cardiovascular composition MERCK FROSST CANADA INC. (CA) 1992-01-02 EP disclosed
EP-0166257-A2 Cardiovascular composition MERCK FROSST CANADA INC. (CA) 1986-01-02 EP disclosed
US-4558037-A A DIBENZOTHIEPIN COMPOUND AND AN ANGIOTENSIN CONVERTING ENZYME INHIBITOR MERCK & CO., INC. (US) 1985-12-10 US disclosed
US-4535171-A Dibenzo[b,f]thiepin-3-carboxaldehydes as prostaglandin antagonists MERCK FROSST CANADA, INC. (CA) 1985-08-13 US disclosed
EP-0138532-A2 3-Substituted dibenzo [b,f] thiepins, compositions containing them and their use as prostaglandin antagonists MERCK FROSST CANADA INC. (CA) 1985-04-24 EP disclosed
EP-0029587-B1 3-HYDROXYMETHYLDIBENZO(B,F)THIEPINS AND DIBENZO(B,F)THIEPIN-3-CARBOXALDEHYDES AS PROSTAGLANDIN ANTAGONISTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS MERCK SHARP & DOHME (I.A.) CORP. (US) 1984-06-13 EP disclosed
EP-0029587-A1 3-Hydroxymethyldibenzo(b,f)thiepins and dibenzo(b,f)thiepin-3-carboxaldehydes as prostaglandin antagonists, process for their preparation and pharmaceutical compositions MERCK SHARP & DOHME (I.A.) CORP. (US) 1981-06-03 EP disclosed
US-4237160-A 3-Hydroxymethyldibenzo[b,f]thiepins as prostaglandin antagonists MERCK SHARP & DOHME (I.A.) CORP. (US) 1980-12-02 US disclosed