SCHEMBL4004746

SCHEMBL4004746

COc1c(Cl)c2c(c(Cl)c1OC)CN(C(=O)CCCc1ncccn1)CC2

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.45
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ENPP2 Q13822 4/20 0.39
TAAR1 Q96RJ0 1/20 0.38
CHRM1 P11229 1/20 0.37

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
SCHEMBL4010973 0.86 ENPP2 (0.41) PTGDR2MAPTHPGDENPP2TAAR1
SCHEMBL4012388 0.85 PTGDR2 (0.38) PTGDR2MAPTHPGDHTTNPSR1
SCHEMBL4005110 0.81 HPGD (0.43) PTGDR2MAPTHPGDHTTNPSR1
SCHEMBL4013090 0.81 TAAR1 (0.39) PTGDR2MAPTHPGDHTTNPSR1
SCHEMBL4006857 0.80 HPGD (0.41) PTGDR2MAPTHPGDHTTNPSR1
SCHEMBL4012751 0.80 PTGDR2 (0.40) PTGDR2MAPTHPGDHTTNPSR1
SCHEMBL13963196 0.79 HPGD (0.37) PTGDR2MAPTHPGDHTTNPSR1
SCHEMBL13963194 0.78 PTGDR2 (0.43) PTGDR2MAPTHPGDHTTNPSR1
SCHEMBL4008415 0.78 MAPT (0.41) PTGDR2MAPTHPGDHTTNPSR1
SCHEMBL4010032 0.78 PRLHR (0.38) 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 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