SCHEMBL10413596

SCHEMBL10413596

CCOC(=O)CC1CCCCc2c1n(Cc1ccc(Cl)cc1)c1ccc(F)cc21

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 16/20 0.74
PTGDR Q13258 12/20 0.57
PDE2A O00408 3/20 0.54
PTGER3 P43115 3/20 0.49
PTGER2 P43116 3/20 0.49
PTGIR P43119 3/20 0.49
PTGER1 P34995 2/20 0.49
PTGFR P43088 2/20 0.49
PTGER4 P35408 1/20 0.49
TBXAS1 P24557 3/20 0.48
PDE4A P27815 1/20 0.48
TSPO P30536 1/20 0.48
DRD3 P35462 1/20 0.48
PDE4D Q08499 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.48

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
SCHEMBL9518093 0.98 TBXA2R (0.77) TBXA2RPTGDRPDE2APTGER3PTGER2
SCHEMBL9518164 0.91 TBXA2R (0.65) TBXA2RPTGDRPDE2A
SCHEMBL9518226 0.91 TBXA2R (0.65) TBXA2RPTGDRPDE2ATBXAS1
SCHEMBL9518380 0.90 TBXA2R (0.67) TBXA2RPTGDRPDE2ATBXAS1PTGDR2
SCHEMBL9518277 0.90 TBXA2R (0.64) TBXA2RPTGDRPDE2ATBXAS1
SCHEMBL10470984 0.89 TBXA2R (0.62) TBXA2RPTGDRPDE2A
SCHEMBL9519473 0.88 TBXA2R (0.61) TBXA2RPTGDRPDE2A
SCHEMBL9518078 0.87 TBXA2R (0.60) TBXA2RPTGDRPDE2A
SCHEMBL10413594 0.87 TBXA2R (0.96) TBXA2RPTGDRPDE2APTGER3PTGER2
SCHEMBL9521319 0.87 TBXA2R (0.60) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4906654-A Cyclohept[b]indoleakanoic acids, pharmaceutical compositions and use MERCK FROSST CANADA, INC. (CA) 1990-03-06 US disclosed
EP-0304156-A1 Cyclohept b indolealkanoic acids MERCK FROSST CANADA INC. (CA) 1989-02-22 EP disclosed
US-4775680-A PROSTAGLANDIN ANTAGONISTS MERCK & CO., INC. (US) 1988-10-04 US disclosed