SCHEMBL1901650

SCHEMBL1901650

CCC(C(=O)O)n1c2c(c3cc(F)ccc31)CC(NC(=O)CC(c1ccccc1)c1ccccc1)CC2

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.71
TBXA2R P21731 3/20 0.39
PTGDR Q13258 3/20 0.39
ABCB11 O95342 1/20 0.38
CYP2C9 P11712 1/20 0.38
DRD1 P21728 1/20 0.38
CCKAR P32238 1/20 0.38
HTT P42858 1/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL1901648 1.00 PTGDR2 (0.71) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL1904443 0.93 PTGDR2 (0.62) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL1904444 0.93 PTGDR2 (0.62) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL1903879 0.90 PTGDR2 (0.56) PTGDR2TBXA2RPTGDR
SCHEMBL1902243 0.87 PTGDR2 (0.54) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL1902244 0.87 PTGDR2 (0.54) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL1901892 0.86 PTGDR2 (0.53) PTGDR2TBXA2RPTGDRCYP2C9
SCHEMBL1900286 0.86 PTGDR2 (0.53) PTGDR2TBXA2RPTGDR
SCHEMBL1903891 0.86 PTGDR2 (0.53) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL1901890 0.86 PTGDR2 (0.53) PTGDR2TBXA2RPTGDRCYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051962-B1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-26 EP disclosed
EP-2316824-A1 (3-Amino-1,2,3,4-tetrahydro-9H-carbazoI-9-yl)-acetic acid derivates Actelion Pharmaceuticals Ltd. (CH) 2011-05-04 EP disclosed