SCHEMBL5794429

SCHEMBL5794429

O=C1c2ccccc2C(=O)N1C1CC=CC(c2ccccc2)N(C2CCCC2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 6/20 0.37
CHRM2 P08172 1/20 0.37
OPRM1 P35372 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
IKZF3 Q9UKT9 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.35
ADCY2 Q08462 2/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
MC4R P32245 1/20 0.33

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
SCHEMBL4837823 1.00 NPSR1 (0.42) NPSR1ALDH1A1CHRM2OPRM1DDB1
SCHEMBL4839855 1.00 NPSR1 (0.42) NPSR1ALDH1A1CHRM2OPRM1DDB1
SCHEMBL14263755 0.80 NPSR1 (0.34) NPSR1ALDH1A1LMNAHTTKDM4E
SCHEMBL14263754 0.80 NPSR1 (0.34) NPSR1ALDH1A1LMNAHTTKDM4E
SCHEMBL4833881 0.78 NPSR1 (0.43) NPSR1ALDH1A1LMNAHTTALOX15
SCHEMBL5791168 0.78 NPSR1 (0.43) NPSR1ALDH1A1LMNAHTTALOX15
SCHEMBL4837879 0.78 NPSR1 (0.43) NPSR1ALDH1A1LMNAHTTALOX15
SCHEMBL8313412 0.77 ALDH1A1 (0.36) NPSR1ALDH1A1CHRM2OPRM1DDB1
SCHEMBL4845001 0.77 ALDH1A1 (0.36) NPSR1ALDH1A1CHRM2OPRM1DDB1
SCHEMBL8313398 0.76 ALDH1A1 (0.42) NPSR1ALDH1A1TDP1HTTMAPT

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
EP-1636196-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004080983-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-23 WO disclosed