SCHEMBL1905899

SCHEMBL1905899

CCC(=O)N(CCOc1ccc(C(F)(F)F)cc1)C1CCc2c(c3cc(F)ccc3n2C(CC)C(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.46

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
SCHEMBL1905896 1.00 PTGDR2 (0.46) PTGDR2
SCHEMBL1901785 0.93 PTGDR2 (0.47) PTGDR2
SCHEMBL1901786 0.93 PTGDR2 (0.47) PTGDR2
SCHEMBL1903206 0.91 PTGDR2 (0.43) PTGDR2
SCHEMBL1903209 0.91 PTGDR2 (0.43) PTGDR2
SCHEMBL1903187 0.88 PTGDR2 (0.43) PTGDR2
SCHEMBL1903188 0.88 PTGDR2 (0.43) PTGDR2
SCHEMBL1907203 0.88 PTGDR2 (0.41) PTGDR2
SCHEMBL1907204 0.88 PTGDR2 (0.41) PTGDR2
SCHEMBL830465 0.87 PTGDR2 (0.62) 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-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