SCHEMBL4014897

SCHEMBL4014897

COc1c(Cl)c2c(c(Cl)c1OC)CN(C(=O)CCCc1ncc(C(F)(F)F)cc1Cl)CC2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.47
MAPT P10636 6/20 0.42
POLB P06746 2/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
HPGD P15428 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 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
SCHEMBL13963195 0.92 NPSR1 (0.40) NPSR1MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL13962555 0.89 MAPT (0.43) NPSR1MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL4010032 0.85 PRLHR (0.38) NPSR1MAPTSMN1; SMN2HTTPTGDR2
SCHEMBL3935772 0.84 PTGDR2 (0.38) NPSR1MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL4016104 0.83 AGBL2 (0.41) NPSR1MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL4006857 0.81 HPGD (0.41) NPSR1MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL13962550 0.81 MAPT (0.37) NPSR1MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL13963196 0.81 HPGD (0.37) NPSR1MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL4011125 0.80 ALDH1A1 (0.37) NPSR1MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL13963194 0.78 PTGDR2 (0.43) NPSR1MAPTHTTPTGDR2HPGD

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