SCHEMBL9518141

SCHEMBL9518141

CCOC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(C(C)C)cccc21

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 19/20 0.79
PTGDR Q13258 19/20 0.79
PDE2A O00408 3/20 0.58
PTGER2 P43116 1/20 0.47

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
SCHEMBL9518211 0.90 TBXA2R (0.65) TBXA2RPTGDRPDE2A
SCHEMBL9521486 0.88 TBXA2R (1.00) TBXA2RPTGDRPDE2APTGER2
SCHEMBL9518207 0.88 TBXA2R (0.62) TBXA2RPTGDRPDE2A
SCHEMBL6268039 0.86 TBXA2R (0.75) TBXA2RPTGDRPDE2A
SCHEMBL9518262 0.82 TBXA2R (0.57) TBXA2RPTGDRPDE2A
SCHEMBL10736116 0.82 TBXA2R (0.65) TBXA2RPTGDRPDE2A
SCHEMBL9518246 0.81 TBXA2R (0.59) TBXA2RPTGDRPDE2A
SCHEMBL9518164 0.80 TBXA2R (0.65) TBXA2RPTGDRPDE2A
SCHEMBL9518153 0.79 TBXA2R (0.80) TBXA2RPTGDRPDE2A
SCHEMBL4100256 0.79 PDE2A (0.78) TBXA2RPTGDRPDE2APTGER2

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 6 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
EP-0239306-B1 TETRAHYDROCARBAZOLE ESTERS MERCK FROSST CANADA INC. (CA) 1993-06-02 EP disclosed
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