SCHEMBL5791168

SCHEMBL5791168

NC1CC=CC(c2ccccc2)N(C2CCCC2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SLC18A3 Q16572 1/20 0.35
CASP3 P42574 2/20 0.34
CCR5 P51681 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD11B1 P28845 1/20 0.33
CES2 O00748 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32

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
SCHEMBL4837879 1.00 NPSR1 (0.43) NPSR1LMNAHTTALDH1A1SLC18A3
SCHEMBL4833881 1.00 NPSR1 (0.43) NPSR1LMNAHTTALDH1A1SLC18A3
SCHEMBL4839855 0.78 NPSR1 (0.42) NPSR1LMNAHTTALDH1A1CASP3
SCHEMBL4837823 0.78 NPSR1 (0.42) NPSR1LMNAHTTALDH1A1CASP3
SCHEMBL4841214 0.77 TSHR (0.38) LMNAALDH1A1KMT2AGAA
SCHEMBL4841772 0.77 TSHR (0.38) LMNAALDH1A1KMT2AGAA
SCHEMBL4834022 0.74 GRM2 (0.33) LMNA
SCHEMBL4834368 0.74 GRM2 (0.33) LMNA
SCHEMBL4839870 0.72 ALDH1A1 (0.44) NPSR1HTTALDH1A1MEN1KMT2A
SCHEMBL5791105 0.72 ALDH1A1 (0.44) NPSR1HTTALDH1A1MEN1KMT2A

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