SCHEMBL4012388

SCHEMBL4012388

COc1c(Cl)c2c(c(Cl)c1OC)CN(C(=O)CCCc1nccc(C(F)(F)F)n1)CC2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.38
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BRS3 P32247 1/20 0.35
PRLHR P49683 2/20 0.35
GPBAR1 Q8TDU6 2/20 0.34
ENPP2 Q13822 5/20 0.34
GRM2 Q14416 1/20 0.34

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 0.90 ENPP2 (0.35) PTGDR2GPBAR1ENPP2
SCHEMBL4012387 0.89 ENPP2 (0.35) PTGDR2GPBAR1ENPP2GRM2
SCHEMBL4004746 0.85 PTGDR2 (0.45) PTGDR2MAPTHPGDHTTNPSR1
SCHEMBL4010032 0.79 PRLHR (0.38) PTGDR2MAPTHPGDHTTNPSR1
SCHEMBL4014897 0.77 NPSR1 (0.47) PTGDR2MAPTHPGDHTTNPSR1
SCHEMBL13963195 0.76 NPSR1 (0.40) PTGDR2MAPTHPGDHTTNPSR1
SCHEMBL4012751 0.76 PTGDR2 (0.40) PTGDR2MAPTHPGDHTTNPSR1
SCHEMBL3935772 0.76 PTGDR2 (0.38) PTGDR2MAPTHPGDHTTNPSR1
SCHEMBL4005110 0.76 HPGD (0.43) PTGDR2MAPTHPGDHTTNPSR1
SCHEMBL4011009 0.75 PTGDR2 (0.43) PTGDR2MAPTHPGDHTTNPSR1

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