SCHEMBL6671019

SCHEMBL6671019

NC(=O)c1ccc(-c2cccc(F)c2)o1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.74
NR4A2 P43354 1/20 0.74
NR4A3 Q92570 1/20 0.74
SLC9A1 P19634 6/20 0.72
PDE4B Q07343 6/20 0.58
NQO2 P16083 1/20 0.56
MGAM O43451 3/20 0.54
GAA P10253 3/20 0.54
SI P14410 3/20 0.54
MGAM2 Q2M2H8 3/20 0.54
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
PRNP P04156 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
C3AR1 Q16581 1/20 0.52

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
SCHEMBL3050183 0.85 NR4A1 (1.00) NR4A1NR4A2NR4A3SLC9A1PDE4B
SCHEMBL29353751 0.84 NR4A1 (0.74) NR4A1NR4A2NR4A3SLC9A1PDE4B
SCHEMBL28202474 0.84 NR4A1 (0.74) NR4A1NR4A2NR4A3SLC9A1PDE4B
SCHEMBL13078324 0.84 NR4A1 (0.74) NR4A1NR4A2NR4A3SLC9A1PDE4B
SCHEMBL4949839 0.84 SLC9A1 (1.00) NR4A1NR4A2NR4A3SLC9A1
SCHEMBL28747774 0.82 ALDH1A1 (0.57) NR4A1NR4A2NR4A3SLC9A1GAA
SCHEMBL4949353 0.81 NR4A1 (0.70) NR4A1NR4A2NR4A3SLC9A1PDE4B
SCHEMBL27585207 0.81 SLC9A1 (0.72) SLC9A1PDE4BMGAMGAASI
SCHEMBL5842720 0.80 SLC9A1 (0.74) SLC9A1GAAKDM4EALDH1A1HPGD
SCHEMBL13044131 0.80 NR4A1 (0.68) NR4A1NR4A2NR4A3SLC9A1PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100345847-C Novel biarylcarboxamides ASTRAZENECA AB (SE) 2007-10-31 CN claimed
EP-1453828-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF FIBROMYALGIA SYNDROME AstraZeneca AB (SE) 2004-09-08 EP claimed
WO-2003032897-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF FIBROMYALGIA SYNDROME ASTRAZENECA AB (SE) 2003-04-24 WO claimed
CN-1400973-A Novel biarylcarboxamides ASTRAZENECA AB (SE) 2003-03-05 CN claimed
CN-100345847-C Novel biarylcarboxamides ASTRAZENECA AB (SE) 2007-10-31 CN disclosed
CN-1400973-A Novel biarylcarboxamides ASTRAZENECA AB (SE) 2003-03-05 CN disclosed