SCHEMBL4009380

SCHEMBL4009380

O=C(CCCc1ccc(Cl)cn1)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TAAR1 Q96RJ0 1/20 0.38
HTT P42858 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 2/20 0.37
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ME2 P23368 1/20 0.35
ME1 P48163 1/20 0.35
ME3 Q16798 1/20 0.35
GRM5 P41594 1/20 0.35
ENPP2 Q13822 4/20 0.35
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL13963129 0.89 TAAR1 (0.36) HPGDSMN1; SMN2TAAR1HTTNPSR1
SCHEMBL4009901 0.89 CHRM1 (0.38) TAAR1ME2ME1ME3ENPP2
SCHEMBL4005110 0.88 HPGD (0.43) HPGDSMN1; SMN2TAAR1HTTNPSR1
SCHEMBL13962552 0.88 PTGDR2 (0.36) TAAR1ME2ME1ME3ENPP2
SCHEMBL13963125 0.88 TAAR1 (0.35) HPGDSMN1; SMN2TAAR1HTTNPSR1
SCHEMBL4010786 0.87 PARP1 (0.35) HPGDSMN1; SMN2TAAR1MAPTTSHR
SCHEMBL4011802 0.87 TAAR1 (0.39) HPGDSMN1; SMN2TAAR1HTTNPSR1
SCHEMBL4015621 0.87 TIPARP (0.37) HPGDSMN1; SMN2TAAR1MAPTKMT2A
SCHEMBL4012393 0.86 TAAR1 (0.34) HPGDSMN1; SMN2TAAR1HTTNPSR1
SCHEMBL4006522 0.86 ALDH1A1 (0.38) HPGDSMN1; SMN2TAAR1HTTNPSR1

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