SCHEMBL8319626

SCHEMBL8319626

CN1C(=O)[C@@H](NC(=O)OCc2ccccc2)CC=C[C@@H]1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.44
PREP P48147 3/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.41
CTSK P43235 2/20 0.40
CPB1 P15086 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40

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
SCHEMBL8320291 1.00 NAAA (0.44) NAAAPREPALDH1A1GAATSHR
SCHEMBL8319092 1.00 NAAA (0.44) NAAAPREPALDH1A1GAATSHR
SCHEMBL8319502 1.00 NAAA (0.44) NAAAPREPALDH1A1GAATSHR
SCHEMBL19576770 0.75 NAAA (0.54) NAAAPREPALDH1A1GAATSHR
SCHEMBL14601914 0.73 CTSK (0.54) NAAAPREPALDH1A1GAATSHR
SCHEMBL13017770 0.73 NAAA (0.50) NAAAPREPALDH1A1GAATSHR
SCHEMBL12345121 0.73 NAAA (0.50) NAAAPREPALDH1A1GAATSHR
SCHEMBL15200070 0.73 NAAA (0.52) NAAAPREPALDH1A1GAATSHR
SCHEMBL13043801 0.73 CTSK (0.54) NAAAPREPALDH1A1GAATSHR
SCHEMBL13043811 0.71 CASP3 (0.53) NAAAALDH1A1GAACTSKCTSL

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