SCHEMBL18524201

SCHEMBL18524201

CCOC(=O)Cc1ccc(-c2ccc(F)c3c2CNCC3)c(OCC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.49

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
SCHEMBL18524266 0.94 PTGDR2 (0.50) PTGDR2
SCHEMBL15056364 0.92 PTGDR2 (0.50) PTGDR2
SCHEMBL15055855 0.88 PTGDR2 (0.49) PTGDR2
SCHEMBL15055840 0.85 PTGDR2 (0.51) PTGDR2
SCHEMBL15055830 0.83 PTGDR2 (0.58) PTGDR2
Hydrochloric Acid SCHEMBL15056615 0.82 PTGDR2 (0.57) PTGDR2
SCHEMBL17061207 0.81 PTGDR2 (0.50) PTGDR2
SCHEMBL17061188 0.79 PTGDR2 (0.55) PTGDR2
Hydrochloric Acid SCHEMBL17061186 0.79 PTGDR2 (0.54) PTGDR2
SCHEMBL17061220 0.77 PTGDR2 (0.50) PTGDR2

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-2794563-B1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2017-02-22 EP disclosed