SCHEMBL4012387

SCHEMBL4012387

O=C(CCCc1nccc(C(F)(F)F)n1)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 10/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
GPBAR1 Q8TDU6 4/20 0.35
TAAR1 Q96RJ0 1/20 0.34
MAPK1 P28482 1/20 0.34
KCNK3 O14649 1/20 0.33
GRM2 Q14416 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL13962553 0.91 ENPP2 (0.35) ENPP2PRMT5WDR77GPBAR1TAAR1
SCHEMBL4012388 0.89 PTGDR2 (0.38) ENPP2GPBAR1GRM2PTGDR2
SCHEMBL13962989 0.85 ENPP2 (0.36) ENPP2GPBAR1TAAR1MAPK1PTGDR2
SCHEMBL4010973 0.83 ENPP2 (0.41) ENPP2TAAR1MAPK1PTGDR2
SCHEMBL13962556 0.82 GPBAR1 (0.45) ENPP2GPBAR1TAAR1PTGDR2
SCHEMBL4015287 0.80 TRPV1 (0.39)
SCHEMBL4009139 0.79 PTGDR2 (0.36) GPBAR1PTGDR2
SCHEMBL4015621 0.78 TIPARP (0.37) ENPP2GPBAR1TAAR1
SCHEMBL4012243 0.77 GPBAR1 (0.50) GPBAR1PTGDR2
SCHEMBL13962993 0.76 GPBAR1 (0.44) ENPP2GPBAR1KCNK3PTGDR2

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-2009007418-A1 NOVEL BRONCHODILATING ISOQUINOLINE AMIDES RESPIRATORIUS AB (SE) 2009-01-15 WO disclosed
WO-2009007418-A1 NOVEL BRONCHODILATING ISOQUINOLINE AMIDES RESPIRATORIUS AB (SE) 2009-01-15 WO disclosed