SCHEMBL17907931

SCHEMBL17907931

COC(=O)C(=O)c1c2n(c3cc(F)ccc13)CC(N(C)Cc1ccccc1)CC2

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.47
PTGDR Q13258 3/20 0.45
TBXA2R P21731 2/20 0.45
CYP2C9 P11712 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL17908000 0.94 PTGDR2 (0.48) PTGDR2PTGDRTBXA2RCYP2C9
SCHEMBL17908004 0.90 PTGDR2 (0.50) PTGDR2PTGDR
SCHEMBL17907973 0.90 PTGDR2 (0.47) PTGDR2PTGDRTBXA2R
SCHEMBL17907941 0.89 PTGDR2 (0.47) PTGDR2PTGDRTBXA2R
SCHEMBL17907921 0.86 PTGDR2 (0.46) PTGDR2PTGDR
SCHEMBL17907970 0.85 PTGDR2 (0.49) PTGDR2PTGDR
SCHEMBL17907962 0.85 PTGDR2 (0.46) PTGDR2PTGDRTBXA2R
SCHEMBL17907925 0.84 PTGDR2 (0.58) PTGDR2PTGDRTBXA2RCYP2C9KCNH2
SCHEMBL17907994 0.83 PTGDR2 (0.51) PTGDR2PTGDR
SCHEMBL17907943 0.80 PTGDR2 (0.59) PTGDR2PTGDRTBXA2RCYP2C9

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