SCHEMBL9518525

SCHEMBL9518525

CCC(C(=O)O)C1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccc(Br)cc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 14/20 0.52
PTGDR Q13258 12/20 0.51
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
HTR6 P50406 1/20 0.44
PDE2A O00408 2/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1A1 P14550 1/20 0.41
AKR1B1 P15121 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 0.89 TBXA2R (0.67) TBXA2RPTGDRPDE2AAKR1B1
SCHEMBL9521310 0.87 TBXA2R (0.64) TBXA2RPTGDRPDE2AHDAC6
SCHEMBL9519669 0.81 TBXA2R (0.56) TBXA2RPTGDRHTR6PDE2AAKR1B10
SCHEMBL7248571 0.81 PDE2A (0.68) TBXA2RPTGDRPDE2AMEN1KMT2A
SCHEMBL9518334 0.80 TBXA2R (0.79) TBXA2RPTGDRPDE2A
SCHEMBL9518784 0.80 TBXA2R (0.54) TBXA2RPTGDRHTR6AKR1B1
SCHEMBL9518789 0.78 TBXA2R (0.69) TBXA2RPTGDRPDE2AAKR1B1
SCHEMBL9519473 0.78 TBXA2R (0.61) TBXA2RPTGDRPDE2A
SCHEMBL10582670 0.73 TBXA2R (0.63) TBXA2RPTGDRPDE2AHDAC6
SCHEMBL9518426 0.72 TBXA2R (0.63) 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 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