SCHEMBL17907959

SCHEMBL17907959

COC(=O)Cc1c2n(c3ccc(Cl)cc13)CC(N(C)Cc1ccccc1)CC2

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.56
TBXA2R P21731 2/20 0.51
PTGDR Q13258 2/20 0.51

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
SCHEMBL13279672 0.94 PTGDR2 (0.58) PTGDR2TBXA2RPTGDR
SCHEMBL17907964 0.90 PTGDR2 (0.56) PTGDR2TBXA2RPTGDR
SCHEMBL17907940 0.90 PTGDR2 (0.59) PTGDR2TBXA2RPTGDR
SCHEMBL17907943 0.90 PTGDR2 (0.59) PTGDR2TBXA2RPTGDR
SCHEMBL17907938 0.89 PTGDR2 (0.62) PTGDR2TBXA2RPTGDR
SCHEMBL17908003 0.86 PTGDR2 (0.61) PTGDR2TBXA2RPTGDR
SCHEMBL17907925 0.85 PTGDR2 (0.58) PTGDR2TBXA2RPTGDR
SCHEMBL17907962 0.84 PTGDR2 (0.46) PTGDR2TBXA2RPTGDR
SCHEMBL17907941 0.80 PTGDR2 (0.47) PTGDR2TBXA2RPTGDR
SCHEMBL17907960 0.78 PTGDR2 (0.49) PTGDR2TBXA2RPTGDR

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-2697223-B1 7-(HETEROARYL-AMINO)-6,7,8,9-TETRAHYDROPYRIDO[1,2-A]INDOL ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2016-07-13 EP disclosed