SCHEMBL4008304

SCHEMBL4008304

CN(C)c1ncc(C(F)(F)F)cc1CCCC(=O)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 3/20 0.35
TIPARP Q7Z3E1 3/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PRLHR P49683 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 2/20 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
SCHEMBL3935772 0.91 PTGDR2 (0.38) GAAALDH1A1MAPTPOLBTIPARP
SCHEMBL4011125 0.84 ALDH1A1 (0.37) GAAALDH1A1MAPTPOLBTIPARP
SCHEMBL4016104 0.84 AGBL2 (0.41) GAAALDH1A1MAPTPOLBTIPARP
SCHEMBL4012990 0.83 TRPV4 (0.40) GAAALDH1A1TIPARPPTGDR2SMN1; SMN2
SCHEMBL13962555 0.83 MAPT (0.43) GAAALDH1A1MAPTPOLBMEN1
SCHEMBL4012024 0.82 SMN1; SMN2 (0.40) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL13962550 0.82 MAPT (0.37) GAAALDH1A1MAPTPOLBTIPARP
SCHEMBL4015621 0.80 TIPARP (0.37) GAAALDH1A1MAPTTIPARPKMT2A
SCHEMBL4012018 0.78
SCHEMBL4006240 0.78 KDM4E (0.39) GAAALDH1A1MAPTPOLBTIPARP

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