SCHEMBL8551799

SCHEMBL8551799

O=C1NCc2cc(I)ccc2N1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.58
PDE3A Q14432 4/20 0.58
CYP11B1 P15538 2/20 0.51
CYP11B2 P19099 2/20 0.51
TGM2 P21980 1/20 0.46
CES1 P23141 1/20 0.46
TDP2 O95551 2/20 0.42
MAPK1 P28482 1/20 0.41
CRBN Q96SW2 2/20 0.40
ADRA2A P08913 1/20 0.38
PNMT P11086 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
MB P02144 1/20 0.37
KCNH2 Q12809 1/20 0.36
LRRK2 Q5S007 1/20 0.36
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3B P49841 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
SCHEMBL429197 0.78 PDE3B (0.58) PDE3BPDE3ACYP11B1CYP11B2TGM2
SCHEMBL15998271 0.78 PDE3B (0.58) PDE3BPDE3ACYP11B1CYP11B2MAPK1
SCHEMBL6907761 0.78 PDE3B (0.63) PDE3BPDE3ACYP11B1CYP11B2MAPK1
SCHEMBL13496007 0.78 PDE3B (0.58) PDE3BPDE3ACYP11B1CYP11B2MAPK1
SCHEMBL3640443 0.78 PDE3B (0.58) PDE3BPDE3ACYP11B1CYP11B2MAPK1
SCHEMBL29809644 0.78 PDE3B (0.58) PDE3BPDE3ACYP11B1CYP11B2MAPK1
SCHEMBL3640442 0.78 PDE3B (0.58) PDE3BPDE3ACYP11B1CYP11B2MAPK1
SCHEMBL29546522 0.78 PDE3B (0.58) PDE3BPDE3ACYP11B1CYP11B2MAPK1
SCHEMBL5366326 0.74 PDE3B (0.54) PDE3BPDE3ACYP11B1CYP11B2TDP2
SCHEMBL15586617 0.74 PDE3B (0.58) PDE3BPDE3ACYP11B1CYP11B2MAPK1

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
EP-3288945-B1 IMIDAZOPYRAZINES AND PYRAZOLOPYRIMIDINES AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-09-18 EP disclosed
EP-0623614-B1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1998-02-25 EP disclosed
US-5512594-A ADMINISTERING TO TREAT A MEDICAL CONDITION MEDIATED BY ONE OR MORE LEUKOTRIENES ZENECA LIMITED (GB) 1996-04-30 US disclosed
US-5478842-A Antiinflammatory agents, antiallergens, drugs for treatment of diseases mediated by leukotrienes ZENECA LIMITED (GB) 1995-12-26 US disclosed
WO-1994025453-A1 4-ARYL-4-HYDROXY-TETRAHYDROPYRANS AND 3-ARYL-3-HYDROXY-TETRAHYDROFURANS AS 5-LIPOXYGENASE INHIBITORS ZENECA LIMITED (GB) 1994-11-10 WO disclosed
EP-0623614-A1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1994-11-09 EP disclosed