SCHEMBL9519669

SCHEMBL9519669

CCC(C(=O)O)C1CCCc2c1n(Cc1ccccc1)c1ccc(F)cc21

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 13/20 0.56
TBXAS1 P24557 8/20 0.48
PDE2A O00408 1/20 0.46
AKR1B10 O60218 1/20 0.46
AKR1A1 P14550 1/20 0.46
AKR1B1 P15121 1/20 0.46
PTGDR Q13258 2/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43
PER2 O15055 1/20 0.42
CRY2 Q49AN0 1/20 0.42
HRH1 P35367 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL9519276 0.93 TBXA2R (0.67) TBXA2RTBXAS1PDE2AAKR1B1PTGDR
SCHEMBL9518784 0.90 TBXA2R (0.54) TBXA2RTBXAS1AKR1B1PTGDRPTGDR2
SCHEMBL9521310 0.83 TBXA2R (0.64) TBXA2RPDE2APTGDR
SCHEMBL9518398 0.82 PTGDR (0.48) TBXA2RPDE2APTGDRPTGDR2
SCHEMBL9518525 0.81 TBXA2R (0.52) TBXA2RPDE2AAKR1B10AKR1A1AKR1B1
SCHEMBL9518789 0.81 TBXA2R (0.69) TBXA2RTBXAS1PDE2AAKR1B1PTGDR
SCHEMBL9879388 0.81 TBXA2R (0.58) TBXA2RTBXAS1PDE2AAKR1B10AKR1A1
SCHEMBL9518853 0.79 TBXA2R (0.85) TBXA2RTBXAS1PDE2APTGDR
SCHEMBL9518380 0.78 TBXA2R (0.67) TBXA2RTBXAS1PDE2APTGDRPTGDR2
SCHEMBL7248571 0.78 PDE2A (0.68) TBXA2RPDE2APTGDRPTGDR2

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 1 patent. 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