SCHEMBL8180490

SCHEMBL8180490

Nc1ccc2ccc(OCc3ccc4cc(F)ccc4n3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.47
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
CYSLTR1 Q9Y271 2/20 0.45
CYSLTR2 Q9NS75 1/20 0.45
BACE1 P56817 1/20 0.44
ALOX5 P09917 1/20 0.43
MAPT P10636 1/20 0.43
ALOX5AP P20292 1/20 0.43
NCF1 P14598 4/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL8180387 0.91 CYSLTR1 (0.48) PDE10ACYSLTR1CYSLTR2TP53HTT
SCHEMBL2564677 0.89 PDE10A (0.54) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL8186157 0.86 CYSLTR1 (0.53) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL8179931 0.83 PDE10A (0.64) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL8187205 0.76 CYSLTR1 (0.57) CYSLTR1CYSLTR2
SCHEMBL9387167 0.76 CYSLTR1 (0.56) PDE10ACYSLTR1CYSLTR2
SCHEMBL8180867 0.76 CYSLTR1 (0.46) PDE10ACYSLTR1CYSLTR2ALOX5ALOX5AP
SCHEMBL10545895 0.76 PDE10A (0.55) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL9337159 0.72 CYSLTR1 (0.54) PDE10APDE4APDE4BCYSLTR1CYSLTR2
SCHEMBL7604022 0.72 ALOX5 (0.57) PDE10APDE4APDE4BPDE3BPDE3A

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
EP-0643045-B1 Quinoline derivatives as leukotriene antagonists NOVARTIS AG (CH) 2000-03-08 EP disclosed
US-5508408-A LEUKOTRIENE ANTAGONISTS CIBA-GEIGY CORPORATION (US) 1996-04-16 US disclosed
EP-0643045-A1 Quinoline derivatives as leukoriene antagonists CIBA-GEIGY AG (CH) 1995-03-15 EP disclosed