SCHEMBL17907973

SCHEMBL17907973

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.47
TBXA2R P21731 2/20 0.45
PTGDR Q13258 2/20 0.45
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
UBE2M P61081 2/20 0.38
DCUN1D1 Q96GG9 2/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL17907931 0.90 PTGDR2 (0.47) PTGDR2TBXA2RPTGDR
SCHEMBL17908004 0.88 PTGDR2 (0.50) PTGDR2PTGDR
SCHEMBL17907941 0.88 PTGDR2 (0.47) PTGDR2TBXA2RPTGDR
SCHEMBL17908000 0.85 PTGDR2 (0.48) PTGDR2TBXA2RPTGDR
SCHEMBL17907994 0.85 PTGDR2 (0.51) PTGDR2PTGDRUBE2MDCUN1D1
SCHEMBL17907921 0.84 PTGDR2 (0.46) PTGDR2PTGDRKMT2A
SCHEMBL17907970 0.83 PTGDR2 (0.49) PTGDR2PTGDRKMT2A
SCHEMBL17907962 0.83 PTGDR2 (0.46) PTGDR2TBXA2RPTGDR
SCHEMBL15467874 0.75 PTGDR2 (0.44) PTGDR2TBXA2RPTGDR
SCHEMBL17907925 0.74 PTGDR2 (0.58) 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