SCHEMBL3619352

SCHEMBL3619352

CCn1c(Cc2cccnc2)c(CC(=O)O)c2cccnc21

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.66
NAPRT Q6XQN6 1/20 0.47
TBXAS1 P24557 1/20 0.47

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
SCHEMBL3619359 0.84 PTGDR2 (0.76) PTGDR2
SCHEMBL1940594 0.80 PTGDR2 (1.00) PTGDR2
SCHEMBL1939991 0.72 PTGDR2 (1.00) PTGDR2
SCHEMBL1939826 0.70 PTGDR2 (1.00) PTGDR2
SCHEMBL2925018 0.70 PTGDR2 (0.78) PTGDR2
SCHEMBL2925902 0.69 PTGDR2 (0.76) PTGDR2
SCHEMBL1941857 0.69 PTGDR2 (0.77) PTGDR2
SCHEMBL5372499 0.68 PTGDR2 (0.78) PTGDR2
SCHEMBL1939808 0.68 PTGDR2 (0.78) PTGDR2
Alcohol SCHEMBL28317498 0.68 NAPRT (0.86) PTGDR2NAPRTTBXAS1

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-7666878-B2 (1-Benzyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-acetic acid; chemoattractant receptor-homologous molecule expressed on helper T-cells antagonist; antiinflammatory agent, antiallergen; obstructive airways disease NOVARTIS AG (CH) 2010-02-23 US claimed