SCHEMBL8313412

SCHEMBL8313412

O=C1C(N2C(=O)c3ccccc3C2=O)CC=CC(c2ccccc2)N1CC1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
CHRM2 P08172 1/20 0.36
OPRM1 P35372 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
IKZF3 Q9UKT9 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FFAR1 O14842 1/20 0.35
PDE6D O43924 1/20 0.35
CYP1B1 Q16678 1/20 0.33
KDM1A O60341 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4845001 1.00 ALDH1A1 (0.36) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL8312298 0.91 PDE6D (0.37) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL4841665 0.91 PDE6D (0.37) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL8319687 0.88 ALDH1A1 (0.40) ALDH1A1FFAR1MAPTNPSR1MEN1
SCHEMBL4841426 0.88 ALDH1A1 (0.40) ALDH1A1FFAR1MAPTNPSR1MEN1
SCHEMBL4838497 0.84 ALDH1A1 (0.42) ALDH1A1TDP1MAPTHTTNPSR1
SCHEMBL8313398 0.84 ALDH1A1 (0.42) ALDH1A1TDP1MAPTHTTNPSR1
SCHEMBL4833337 0.83 NPSR1 (0.34) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL8314206 0.83 NPSR1 (0.34) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL4843406 0.81 ALDH1A1 (0.37) ALDH1A1TSHRMAPTHTTLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342007-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2008-03-11 US disclosed
US-7342007-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2008-03-11 US disclosed
WO-2004080983-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-23 WO disclosed