SCHEMBL9518853

SCHEMBL9518853

O=C(O)CC1CCCc2c1n(Cc1ccccc1)c1ccc(F)cc21

nearest known ligand 0.85

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 15/20 0.85
TBXAS1 P24557 8/20 0.70
PTGDR Q13258 4/20 0.68
PDE2A O00408 5/20 0.66
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP3A4 P08684 1/20 0.58
MAPT P10636 1/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58
MAPK1 P28482 1/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 1/20 0.58
HSD17B10 Q99714 1/20 0.58

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 0.92 TBXA2R (1.00) TBXA2RTBXAS1PTGDRPDE2A
SCHEMBL10413594 0.90 TBXA2R (0.96) TBXA2RTBXAS1PTGDRPDE2A
SCHEMBL9518874 0.89 TBXA2R (0.84) TBXA2RTBXAS1PTGDRPDE2AMEN1
SCHEMBL9519724 0.88 TBXA2R (0.79) TBXA2RTBXAS1PTGDRPDE2AMEN1
SCHEMBL9518380 0.88 TBXA2R (0.67) TBXA2RTBXAS1PTGDRPDE2AMEN1
SCHEMBL10411886 0.86 TBXA2R (0.76) TBXA2RTBXAS1PTGDRPDE2AMEN1
SCHEMBL11918199 0.85 TBXA2R (0.89) TBXA2RTBXAS1PTGDRPDE2A
SCHEMBL9019688 0.85 TBXA2R (0.74) TBXA2RTBXAS1PTGDRPDE2AMEN1
SCHEMBL9019680 0.84 TBXA2R (0.72) TBXA2RTBXAS1PTGDRPDE2AMEN1
SCHEMBL9879539 0.84 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 9 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
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-0234708-A1 Tetrahydrocarbazole 1-alkanoic acids MERCK FROSST CANADA INC. (CA) 1987-09-02 EP disclosed