SCHEMBL4013090

SCHEMBL4013090

COc1ccc(CCCC(=O)N2CCc3c(Cl)c(OC)c(OC)c(Cl)c3C2)nc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
PTGDR2 Q9Y5Y4 7/20 0.39
HPGD P15428 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
GPBAR1 Q8TDU6 1/20 0.37
MEN1 O00255 1/20 0.37
RYR2 Q92736 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL13962981 0.92 TAAR1 (0.39) TAAR1MAPTSMN1; SMN2HTTPTGDR2
SCHEMBL4011802 0.92 TAAR1 (0.39) TAAR1MAPTSMN1; SMN2HTTPTGDR2
SCHEMBL4005110 0.91 HPGD (0.43) TAAR1MAPTSMN1; SMN2HTTPTGDR2
SCHEMBL4012751 0.89 PTGDR2 (0.40) MAPTHTTPTGDR2HPGDNPSR1
SCHEMBL4008415 0.87 MAPT (0.41) MAPTSMN1; SMN2HTTPTGDR2HPGD
SCHEMBL4010032 0.87 PRLHR (0.38) MAPTSMN1; SMN2HTTPTGDR2HPGD
SCHEMBL4015878 0.87 HPGD (0.36) TAAR1MAPTSMN1; SMN2HTTPTGDR2
SCHEMBL4010141 0.86 KMT2A (0.39) MAPTHTTPTGDR2HPGDNPSR1
SCHEMBL4011009 0.81 PTGDR2 (0.43) MAPTHTTPTGDR2HPGDNPSR1
SCHEMBL4004746 0.81 PTGDR2 (0.45) TAAR1MAPTHTTPTGDR2HPGD

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