SCHEMBL9518281

SCHEMBL9518281

O=C(O)CCC1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccc(F)cc21

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 16/20 0.82
PTGDR Q13258 11/20 0.61
PDE2A O00408 4/20 0.59
TBXAS1 P24557 3/20 0.53
PTGER3 P43115 2/20 0.52
PTGER2 P43116 2/20 0.52
PTGIR P43119 2/20 0.52
PTGER1 P34995 1/20 0.52
PTGER4 P35408 1/20 0.52
PTGFR P43088 1/20 0.52

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
SCHEMBL9277313 0.90 TBXA2R (1.00) TBXA2RPTGDRPDE2ATBXAS1PTGER3
SCHEMBL9879252 0.89 TBXA2R (0.76) TBXA2RPTGDRPDE2ATBXAS1PTGER3
SCHEMBL9518272 0.89 TBXA2R (0.71) TBXA2RPTGDRPDE2ATBXAS1PTGER3
SCHEMBL10413594 0.88 TBXA2R (0.96) TBXA2RPTGDRPDE2ATBXAS1PTGER3
SCHEMBL9518301 0.86 TBXA2R (0.61) TBXA2RPTGDRPDE2A
SCHEMBL11918199 0.84 TBXA2R (0.89) TBXA2RPTGDRPDE2ATBXAS1PTGER3
SCHEMBL9879539 0.82 TBXA2R (0.85) TBXA2RPTGDRPDE2APTGER3PTGER2
SCHEMBL9518853 0.82 TBXA2R (0.85) TBXA2RPTGDRPDE2ATBXAS1
SCHEMBL9518874 0.82 TBXA2R (0.84) TBXA2RPTGDRPDE2ATBXAS1
SCHEMBL9518358 0.82 TBXA2R (0.85) 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 7 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-0234708-B1 TETRAHYDROCARBAZOLE 1-ALKANOIC ACIDS MERCK FROSST CANADA INC. (CA) 1991-02-27 EP claimed
EP-0307077-A1 Tetrahydrocarbazoles for the improvement of cyclosporin therapy MERCK FROSST CANADA INC. (CA) 1989-03-15 EP claimed
EP-0234708-A1 Tetrahydrocarbazole 1-alkanoic acids MERCK FROSST CANADA INC. (CA) 1987-09-02 EP claimed
EP-0234708-B1 TETRAHYDROCARBAZOLE 1-ALKANOIC ACIDS MERCK FROSST CANADA INC. (CA) 1991-02-27 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