SCHEMBL27800366

SCHEMBL27800366

COCc1cncc(Cl)c1CCl

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.34
PDE4B Q07343 3/20 0.33
PDE4A P27815 2/20 0.33
PDE4C Q08493 1/20 0.33
BDKRB2 P30411 1/20 0.33
LMNA P02545 1/20 0.33
P2RX7 Q99572 1/20 0.31

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
Hydrochloric Acid SCHEMBL1563435 0.98 PDE4D (0.33) PDE4DPDE4BPDE4APDE4CBDKRB2
SCHEMBL1563060 0.84 PDE4D (0.36) PDE4DPDE4BPDE4APDE4CBDKRB2
SCHEMBL12016011 0.80 BDKRB2 (0.41) PDE4DPDE4BPDE4APDE4CBDKRB2
SCHEMBL2874875 0.76 SLC6A4 (0.40)
SCHEMBL1563996 0.75 GAA (0.33) PDE4DBDKRB2
Hydrochloric Acid SCHEMBL1565153 0.74 BDKRB2 (0.44) PDE4DPDE4BPDE4APDE4CBDKRB2
Hydrochloric Acid SCHEMBL6627836 0.73 GAA (0.32) PDE4DBDKRB2
SCHEMBL22554165 0.72 PDE4D (0.35) PDE4DPDE4BPDE4APDE4CBDKRB2
SCHEMBL30731074 0.72 PDE4D (0.35) PDE4DPDE4BPDE4APDE4CBDKRB2
SCHEMBL1564966 0.70 PDE4D (0.43) PDE4DPDE4A

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