SCHEMBL4010032

SCHEMBL4010032

COc1c(Cl)c2c(c(Cl)c1OC)CN(C(=O)CCCc1ccc(C(F)(F)F)cn1)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRLHR P49683 3/20 0.38
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
PTGDR2 Q9Y5Y4 6/20 0.37
LIPE Q05469 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
MC4R P32245 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TIPARP Q7Z3E1 1/20 0.35

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
SCHEMBL13962543 0.90 SMN1; SMN2 (0.37) PRLHRPTGDR2LIPEHPGDMAPT
SCHEMBL4015621 0.89 TIPARP (0.37) PRLHRLIPEHPGDMAPTSMN1; SMN2
SCHEMBL4012751 0.88 PTGDR2 (0.40) PTGDR2NPSR1HPGDMAPTHTT
SCHEMBL4005110 0.88 HPGD (0.43) PTGDR2NPSR1HPGDMAPTHTT
SCHEMBL4013090 0.87 TAAR1 (0.39) PTGDR2NPSR1HPGDMAPTHTT
SCHEMBL4014897 0.85 NPSR1 (0.47) PTGDR2NPSR1HPGDMAPTHTT
SCHEMBL13963195 0.84 NPSR1 (0.40) PRLHRPTGDR2NPSR1HPGDMAPT
SCHEMBL4008415 0.84 MAPT (0.41) PTGDR2NPSR1HPGDMAPTHTT
SCHEMBL4015878 0.84 HPGD (0.36) PTGDR2NPSR1HPGDMAPTHTT
SCHEMBL4010141 0.83 KMT2A (0.39) PTGDR2NPSR1HPGDMAPTHTT

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