SCHEMBL4010786

SCHEMBL4010786

N#Cc1ccc(CCCC(=O)N2CCc3c(Cl)c(O)c(O)c(Cl)c3C2)nc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 12/20 0.35
PARP2 Q9UGN5 6/20 0.35
MAPT P10636 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
PANK3 Q9H999 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL4008415 0.89 MAPT (0.41) MAPTPANK3HPGDTSHRSMN1; SMN2
SCHEMBL4009380 0.87 HPGD (0.39) MAPTTAAR1HPGDTSHRSMN1; SMN2
SCHEMBL4009901 0.85 CHRM1 (0.38) TAAR1
SCHEMBL13963129 0.85 TAAR1 (0.36) MAPTTAAR1HPGDTSHRSMN1; SMN2
SCHEMBL13963125 0.83 TAAR1 (0.35) MAPTTAAR1HPGDTSHRSMN1; SMN2
SCHEMBL13962552 0.83 PTGDR2 (0.36) TAAR1
SCHEMBL4011802 0.82 TAAR1 (0.39) MAPTTAAR1HPGDTSHRSMN1; SMN2
SCHEMBL4015621 0.82 TIPARP (0.37) MAPTTAAR1HPGDSMN1; SMN2
SCHEMBL4012393 0.82 TAAR1 (0.34) MAPTTAAR1HPGDSMN1; SMN2HSD17B10
SCHEMBL4006522 0.82 ALDH1A1 (0.38) MAPTTAAR1PANK3HPGDSMN1; SMN2

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