SCHEMBL15280587

SCHEMBL15280587

CC(=O)OC(=O)Cc1c2n(c3ncccc13)C[C@H](N(C)C(=O)[C@H](C)c1ccccc1)CC2

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.71

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
Acetic Acid SCHEMBL15280588 0.90 PTGDR2 (0.84) PTGDR2
SCHEMBL15519218 0.90 PTGDR2 (0.87) PTGDR2
SCHEMBL15280012 0.90 PTGDR2 (0.87) PTGDR2
SCHEMBL2321464 0.85 PTGDR2 (0.59) PTGDR2
SCHEMBL2214672 0.83 PTGDR2 (1.00) PTGDR2
SCHEMBL2215872 0.83 PTGDR2 (1.00) PTGDR2
SCHEMBL15518279 0.83 PTGDR2 (1.00) PTGDR2
SCHEMBL2213260 0.83 PTGDR2 (0.75) PTGDR2
SCHEMBL15509573 0.83 PTGDR2 (0.75) PTGDR2
Acetic Acid SCHEMBL2321469 0.81 PTGDR2 (0.63) 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
US-8546422-B2 Azaindole derivatives as CRTH2 receptor antagonists MERCK CANADA INC. (CA) 2013-10-01 US disclosed