SCHEMBL4010973

SCHEMBL4010973

O=C(CCCc1ncccn1)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.41
TAAR1 Q96RJ0 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MAPK1 P28482 1/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
CHRM1 P11229 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
MAPT P10636 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 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
SCHEMBL4004746 0.86 PTGDR2 (0.45) ENPP2TAAR1PTGDR2HPGDCHRM1
SCHEMBL13962989 0.84 ENPP2 (0.36) ENPP2TAAR1PTGDR2MAPK1HPGD
SCHEMBL4012387 0.83 ENPP2 (0.35) ENPP2TAAR1PTGDR2MAPK1
SCHEMBL4009380 0.80 HPGD (0.39) ENPP2TAAR1PTGDR2MAPK1HPGD
SCHEMBL5708738 0.80 PTGDR2 (0.44) ENPP2TAAR1PTGDR2HPGDSMN1; SMN2
SCHEMBL13963129 0.78 TAAR1 (0.36) ENPP2TAAR1PTGDR2MAPK1HPGD
SCHEMBL4009901 0.78 CHRM1 (0.38) ENPP2TAAR1PTGDR2CHRM1
SCHEMBL13963199 0.77 HPGD (0.39) ENPP2TAAR1PTGDR2MAPK1HPGD
SCHEMBL4002037 0.77 HPGD (0.39) TAAR1PTGDR2MAPK1HPGDSMN1; SMN2
SCHEMBL13962552 0.76 PTGDR2 (0.36) ENPP2TAAR1PTGDR2

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