SCHEMBL6232723

SCHEMBL6232723

NN(C=O)CCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.58
KCNH2 Q12809 2/20 0.48
CHRM2 P08172 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD1 P21728 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
SLC6A3 Q01959 1/20 0.48
SIGMAR1 Q99720 2/20 0.47
ALOX5 P09917 1/20 0.46
MAOA P21397 1/20 0.45

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
SCHEMBL7456364 0.88 AOC3 (0.55) AOC3SIGMAR1ALOX5MAOA
SCHEMBL6981878 0.80 KCNH2 (0.52) AOC3KCNH2CHRM2HTR1AADRA2A
SCHEMBL5548324 0.77 AOC3 (0.58) AOC3KCNH2CHRM2HTR1AADRA2A
SCHEMBL4773352 0.77 HDAC2 (0.60) AOC3KCNH2CHRM2HTR1AADRA2A
SCHEMBL5540861 0.76 SIGMAR1 (0.47) AOC3KCNH2CHRM2HTR1AADRA2A
SCHEMBL536198 0.75 AOC3 (0.52) AOC3
SCHEMBL10012187 0.74 SIGMAR1 (0.55) KCNH2SIGMAR1MAOA
SCHEMBL28760420 0.74 KCNH2 (0.42) AOC3KCNH2SIGMAR1
SCHEMBL17333498 0.74 KCNH2 (0.46) AOC3KCNH2CHRM2HTR1AADRA2A
SCHEMBL17333301 0.74 KCNH2 (0.59) AOC3KCNH2CHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1004582-B1 Pyridazino quinoline compounds ASTRAZENECA AB (SE) 2005-05-18 EP disclosed
EP-0790996-B1 PYRIDAZINOQUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-03-27 EP disclosed
US-6232313-B1 TREATING STROKE OR EPILEPTIC CONVULSIONS ASSOCIATED WITH EXCESSIVE CALCIUM INFLUX IN THE BRAIN CAUSED BY EXCITATORY AMINO ACIDS ZENECA LIMITED (GB) 2001-05-15 US disclosed
EP-0724583-B1 PYRIDAZINO QUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2000-12-13 EP disclosed
EP-1004582-A2 Pyridazino quinoline compounds AstraZeneca UK Limited (GB) 2000-05-31 EP disclosed
US-5744471-A NERVOUS SYSTEM DISORDERS ZENECA LIMITED (GB) 1998-04-28 US disclosed
EP-0790996-A1 PYRIDAZINOQUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1997-08-27 EP disclosed
EP-0724583-A1 PYRIDAZINO QUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1996-08-07 EP disclosed
WO-1996015127-A1 PYRIDAZINOQUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1996-05-23 WO disclosed
WO-1995011244-A1 PYRIDAZINO QUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1995-04-27 WO disclosed