SCHEMBL5226561

SCHEMBL5226561

CCc1nn(CCN(C(=O)O)C(C)(C)C)c(CO)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.35
MAPT P10636 1/20 0.34
KCNH2 Q12809 1/20 0.30

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
SCHEMBL5226939 0.91 PTGDR2 (0.35) PTGDR2MAPT
SCHEMBL5226225 0.91 PTGDR2 (0.35) PTGDR2MAPT
SCHEMBL5228817 0.90 PTGDR2 (0.35) PTGDR2MAPT
SCHEMBL5233666 0.86 PTGDR2 (0.33) PTGDR2MAPT
SCHEMBL5231705 0.84 PTGDR2 (0.31) PTGDR2MAPT
SCHEMBL5226341 0.84 FAAH (0.33) PTGDR2MAPT
SCHEMBL5230405 0.83 PTGDR2 (0.37) PTGDR2
SCHEMBL5224713 0.81 PTGDR2 (0.35) PTGDR2KCNH2
SCHEMBL509867 0.80 MAPT (0.40) PTGDR2MAPTKCNH2
SCHEMBL509118 0.79 MAPT (0.35) PTGDR2MAPTKCNH2

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-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP claimed