SCHEMBL7601684

SCHEMBL7601684

NCOc1ccc(CC(N)=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.55
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
CNR1 P21554 1/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
GLA P06280 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
THPO P40225 1/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
TBXAS1 P24557 1/20 0.50
PARP10 Q53GL7 1/20 0.47

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
SCHEMBL8475224 0.85 TBXAS1 (0.55) CA2LMNATDP1ADRB2ADRB1
SCHEMBL11351141 0.84 CA2 (0.52) CA2LMNAKDM4ETSHRTBXAS1
Hydrochloric Acid SCHEMBL8938138 0.83 TBXAS1 (0.54) CA2LMNATDP1ADRB2ADRB1
SCHEMBL14403148 0.83 TBXAS1 (0.54) CA2KDM4ECYP1A2TBXAS1
SCHEMBL700166 0.82 PARP10 (0.61) CA2LMNATDP1ADRB2ADRB1
SCHEMBL11213233 0.82 PARP10 (0.42) KDM4ECYP1A2PARP10
SCHEMBL31260199 0.81 CA2 (0.61) CA2LMNATDP1ADRB2ADRB1
SCHEMBL23582957 0.81 ALOX15 (0.57) CA2
SCHEMBL11290860 0.80 CA2 (0.80) CA2KDM4E
SCHEMBL8605820 0.79 TBXAS1 (0.54) CA2LMNATDP1ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017672-B1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 2002-11-27 EP disclosed
US-6127414-A NPY antagonists ASTRA AKTIEBOLAG (SE) 2000-10-03 US disclosed
EP-1017672-A1 NEW NPY ANTAGONISTS AstraZeneca AB (SE) 2000-07-12 EP disclosed
WO-1999015498-A1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 1999-04-01 WO disclosed