SCHEMBL9518246

SCHEMBL9518246

CCOC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccc(C(C)C)cc21

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 17/20 0.59
PTGDR Q13258 15/20 0.58
PDE2A O00408 3/20 0.49
PTGES2 Q9H7Z7 1/20 0.46

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
SCHEMBL9518164 0.91 TBXA2R (0.65) TBXA2RPTGDRPDE2A
SCHEMBL10470984 0.89 TBXA2R (0.62) TBXA2RPTGDRPDE2A
SCHEMBL9518365 0.88 TBXA2R (0.75) TBXA2RPTGDRPDE2A
SCHEMBL9518093 0.88 TBXA2R (0.77) TBXA2RPTGDRPDE2A
SCHEMBL9519473 0.88 TBXA2R (0.61) TBXA2RPTGDRPDE2A
SCHEMBL9521319 0.87 TBXA2R (0.60) TBXA2RPTGDRPDE2A
SCHEMBL9518253 0.86 TBXA2R (0.59) TBXA2RPTGDRPDE2APTGES2
SCHEMBL9518227 0.86 TBXA2R (0.59) TBXA2RPTGDRPDE2A
SCHEMBL10413596 0.86 TBXA2R (0.74) TBXA2RPTGDRPDE2A
SCHEMBL6268039 0.86 TBXA2R (0.75) TBXA2RPTGDRPDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0239306-B1 TETRAHYDROCARBAZOLE ESTERS MERCK FROSST CANADA INC. (CA) 1993-06-02 EP claimed
EP-0239306-A2 Tetrahydrocarbazole esters MERCK FROSST CANADA INC. (CA) 1987-09-30 EP claimed
US-4940719-A Tetrahydrocarbazole esters, pharmaceutical compositions and use MERCK FROSST CANADA, INC. (CA) 1990-07-10 US disclosed
EP-0310179-A2 Tetrahydrocarbazole esters MERCK FROSST CANADA INC. (CA) 1989-04-05 EP disclosed
EP-0239306-A2 Tetrahydrocarbazole esters MERCK FROSST CANADA INC. (CA) 1987-09-30 EP disclosed