SCHEMBL8314206

SCHEMBL8314206

CC(C)CN1C(=O)C(N2C(=O)c3ccccc3C2=O)CC=C[C@H]1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 4/20 0.34
TDP1 Q9NUW8 3/20 0.34
TSHR P16473 2/20 0.34
CHRM2 P08172 1/20 0.34
OPRM1 P35372 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
IKZF3 Q9UKT9 1/20 0.34
CYP1A2 P05177 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CACNA1B Q00975 1/20 0.32
ACHE P22303 1/20 0.32
RIPK1 Q13546 1/20 0.32
MAPT P10636 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
SCHEMBL4833337 1.00 NPSR1 (0.34) NPSR1ALDH1A1TDP1TSHRCHRM2
SCHEMBL8313398 0.84 ALDH1A1 (0.42) NPSR1ALDH1A1TDP1MEN1KMT2A
SCHEMBL4838497 0.84 ALDH1A1 (0.42) NPSR1ALDH1A1TDP1MEN1KMT2A
SCHEMBL8313412 0.83 ALDH1A1 (0.36) NPSR1ALDH1A1TDP1TSHRCHRM2
SCHEMBL4845001 0.83 ALDH1A1 (0.36) NPSR1ALDH1A1TDP1TSHRCHRM2
SCHEMBL14254617 0.83 ALDH1A1 (0.37) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL4843406 0.83 ALDH1A1 (0.37) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL5792149 0.80 MEN1 (0.36) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL4845496 0.80 MEN1 (0.36) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL8312298 0.75 PDE6D (0.37) NPSR1ALDH1A1TDP1TSHRCHRM2

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
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