SCHEMBL27779552

SCHEMBL27779552

[O]c1cncc(Cl)c1CCl

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.32
ICAM1 P05362 1/20 0.30
SELE P16581 1/20 0.30
VCAM1 P19320 1/20 0.30

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
SCHEMBL1563996 0.83 GAA (0.33) PDE4DICAM1SELEVCAM1
Hydrochloric Acid SCHEMBL6627836 0.80 GAA (0.32) PDE4D
SCHEMBL1564290 0.73 NOX1 (0.30)
Hydrochloric Acid SCHEMBL1564805 0.71
SCHEMBL4802054 0.70 PDE4D (0.35) PDE4DICAM1SELEVCAM1
Hydrochloric Acid SCHEMBL1563435 0.69 PDE4D (0.33) PDE4D
SCHEMBL2874874 0.67 PDE4D (0.38) PDE4DICAM1SELEVCAM1
SCHEMBL2874872 0.67 ADH1B (0.32)
SCHEMBL2874875 0.67 SLC6A4 (0.40)
SCHEMBL1564966 0.66 PDE4D (0.43) PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679375-A 8-oxy-quinoline derivatives as bradykinin b2 receptor modulators JERINI AG 2010-03-24 CN disclosed