SCHEMBL8313398

SCHEMBL8313398

O=C1c2ccccc2C(=O)N1C1CC=C[C@@H](c2ccccc2)N(Cc2ccccc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 3/20 0.39
THRB P10828 1/20 0.39
ATM Q13315 1/20 0.39
EHMT2 Q96KQ7 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4838497 1.00 ALDH1A1 (0.42) ALDH1A1MAPTNPSR1HTTTDP1
SCHEMBL4833337 0.84 NPSR1 (0.34) ALDH1A1MAPTNPSR1TDP1KMT2A
SCHEMBL8313412 0.84 ALDH1A1 (0.36) ALDH1A1MAPTNPSR1HTTTDP1
SCHEMBL8314206 0.84 NPSR1 (0.34) ALDH1A1MAPTNPSR1TDP1KMT2A
SCHEMBL4845001 0.84 ALDH1A1 (0.36) ALDH1A1MAPTNPSR1HTTTDP1
SCHEMBL14254617 0.81 ALDH1A1 (0.37) ALDH1A1MAPTHTTKMT2ACTDSP1
SCHEMBL4843406 0.81 ALDH1A1 (0.37) ALDH1A1MAPTHTTKMT2ACTDSP1
SCHEMBL5791105 0.78 ALDH1A1 (0.44) ALDH1A1MAPTNPSR1HTTTDP1
SCHEMBL4839870 0.78 ALDH1A1 (0.44) ALDH1A1MAPTNPSR1HTTTDP1
SCHEMBL4843507 0.78 ALDH1A1 (0.44) ALDH1A1MAPTNPSR1HTTTDP1

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