SCHEMBL9518093

SCHEMBL9518093

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

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 17/20 0.77
PTGDR Q13258 12/20 0.59
PDE2A O00408 3/20 0.56
TBXAS1 P24557 3/20 0.50
PTGER3 P43115 2/20 0.49
PTGER2 P43116 2/20 0.49
PTGIR P43119 2/20 0.49
PTGER1 P34995 1/20 0.49
PTGER4 P35408 1/20 0.49
PTGFR P43088 1/20 0.49

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
SCHEMBL10413596 0.98 TBXA2R (0.74) TBXA2RPTGDRPDE2ATBXAS1PTGER3
SCHEMBL9518164 0.93 TBXA2R (0.65) TBXA2RPTGDRPDE2A
SCHEMBL9518226 0.92 TBXA2R (0.65) TBXA2RPTGDRPDE2ATBXAS1
SCHEMBL9518380 0.92 TBXA2R (0.67) TBXA2RPTGDRPDE2ATBXAS1
SCHEMBL9518277 0.91 TBXA2R (0.64) TBXA2RPTGDRPDE2ATBXAS1
SCHEMBL10470984 0.91 TBXA2R (0.62) TBXA2RPTGDRPDE2A
SCHEMBL9519473 0.89 TBXA2R (0.61) TBXA2RPTGDRPDE2A
SCHEMBL9518078 0.89 TBXA2R (0.60) TBXA2RPTGDRPDE2A
SCHEMBL9521319 0.89 TBXA2R (0.60) TBXA2RPTGDRPDE2A
SCHEMBL9518253 0.88 TBXA2R (0.59) 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 11 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
EP-0234708-B1 TETRAHYDROCARBAZOLE 1-ALKANOIC ACIDS MERCK FROSST CANADA INC. (CA) 1991-02-27 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-0307077-A1 Tetrahydrocarbazoles for the improvement of cyclosporin therapy MERCK FROSST CANADA INC. (CA) 1989-03-15 EP disclosed
US-4808608-A ANTIALLERGENS, HYPOTENSIVE AGENT, ANTICOAGULANT MERCK & CO., INC. (US) 1989-02-28 US disclosed
EP-0300676-A2 Tetrahydrocarbazole 1-alkanoic acids MERCK FROSST CANADA INC. (CA) 1989-01-25 EP disclosed
EP-0239306-A2 Tetrahydrocarbazole esters MERCK FROSST CANADA INC. (CA) 1987-09-30 EP disclosed
EP-0234708-A1 Tetrahydrocarbazole 1-alkanoic acids MERCK FROSST CANADA INC. (CA) 1987-09-02 EP disclosed