SCHEMBL9518655

SCHEMBL9518655

CC(=O)OC1CCCc2c1n(Cc1ccccc1)c1ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 8/20 0.57
PTGDR Q13258 5/20 0.57
HDAC6 Q9UBN7 4/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
HTR6 P50406 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC10 Q969S8 1/20 0.43
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL9879273 0.93 TBXA2R (0.65) TBXA2RPTGDRHDAC6HDAC2HDAC8
SCHEMBL9879388 0.88 TBXA2R (0.58) TBXA2RPTGDR
SCHEMBL10517481 0.81 TBXA2R (0.62) TBXA2RPTGDRHDAC6HDAC2HDAC8
SCHEMBL1874308 0.80 TBXA2R (0.62) TBXA2RPTGDRHDAC6HDAC2HDAC8
SCHEMBL10769971 0.79 TBXA2R (0.53) TBXA2RPTGDRKDM4EMEN1KMT2A
SCHEMBL10585888 0.79 TBXA2R (0.52) TBXA2RPTGDR
SCHEMBL10588990 0.79 TBXA2R (0.67) TBXA2RPTGDRKDM4EHSD17B10
SCHEMBL16266063 0.78 TBXA2R (0.60) TBXA2RPTGDRHDAC6HDAC2HDAC8
SCHEMBL5944434 0.78 TBXA2R (0.57) TBXA2RPTGDRHDAC6HDAC2HDAC8
SCHEMBL9055755 0.76 CHRM2 (0.50) HDAC6HDAC2HDAC8CA1CA2

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 disclosed
US-4940719-A Tetrahydrocarbazole esters, pharmaceutical compositions and use MERCK FROSST CANADA, INC. (CA) 1990-07-10 US disclosed
US-4906654-A Cyclohept[b]indoleakanoic acids, pharmaceutical compositions and use MERCK FROSST CANADA, INC. (CA) 1990-03-06 US disclosed
EP-0310179-A2 Tetrahydrocarbazole esters MERCK FROSST CANADA INC. (CA) 1989-04-05 EP disclosed
US-4808608-A ANTIALLERGENS, HYPOTENSIVE AGENT, ANTICOAGULANT MERCK & CO., INC. (US) 1989-02-28 US disclosed
US-4775680-A PROSTAGLANDIN ANTAGONISTS MERCK & CO., INC. (US) 1988-10-04 US disclosed
EP-0234708-A1 Tetrahydrocarbazole 1-alkanoic acids MERCK FROSST CANADA INC. (CA) 1987-09-02 EP disclosed