SCHEMBL4007085

SCHEMBL4007085

O=C(OCc1ccc(C(F)(F)F)nc1)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.42

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
SCHEMBL4011384 0.84 PTGDR2 (0.46) PTGDR2
SCHEMBL4012243 0.83 GPBAR1 (0.50) PTGDR2
SCHEMBL13962556 0.81 GPBAR1 (0.45) PTGDR2
SCHEMBL21612764 0.79 L3MBTL1 (0.40) PTGDR2
SCHEMBL31018181 0.79 L3MBTL1 (0.40) PTGDR2
SCHEMBL13962551 0.78 PTGDR2 (0.54) PTGDR2
SCHEMBL31018186 0.77 TRPV1 (0.39) PTGDR2
SCHEMBL3099369 0.77 TRPV1 (0.39) PTGDR2
SCHEMBL3099388 0.77 TRPV1 (0.39) PTGDR2
SCHEMBL21615973 0.76 KMT2A (0.41)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009007419-A1 NOVEL BRONCHODILATING ISOQUINOLINE CARBAMATES RESPIRATORIUS AB (SE) 2009-01-15 WO disclosed
WO-2009007419-A1 NOVEL BRONCHODILATING ISOQUINOLINE CARBAMATES RESPIRATORIUS AB (SE) 2009-01-15 WO disclosed