SCHEMBL5218328

SCHEMBL5218328

O=Cc1cc(Br)ccc1OCCC1CCCN1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.48
HPGD P15428 1/20 0.39
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHEK2 O96017 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
CHEK1 O14757 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
ERN1 O75460 1/20 0.35

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
SCHEMBL5701841 0.80 KDM4E (0.42) CHRNB4CHRNA3CHEK2HSP90AA1HSP90AB1
SCHEMBL6141526 0.78 SSTR2 (0.39) CHRNB4CHRNA3CHEK2MKNK1CHEK1
SCHEMBL2332409 0.76 FDPS (0.60) HPGDCHRNB4CHRNA3CHEK1HSP90AA1
SCHEMBL29038394 0.76 FDPS (0.53) HPGDCHRNB4CHRNA3CHEK1HSP90AA1
SCHEMBL11456190 0.76 LTA4H (0.48) CHRNA3
SCHEMBL6110644 0.74 LTA4H (0.53) CHEK2ERN1
SCHEMBL12491869 0.74 CHRNB4 (0.39) HPGDCHRNB4CHRNA3MKNK1CHEK1
SCHEMBL31256065 0.74 CHRNB4 (0.47) CHRNB4CHRNA3CHEK2
SCHEMBL11450540 0.74 CHRNB4 (0.52) CHRNB4CHRNA3
SCHEMBL5699880 0.73 HPGD (0.65) PTGDR2HPGDPLA2G1BATG4BERN1

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-1831170-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 WO disclosed