SCHEMBL13610869

SCHEMBL13610869

CCCCOc1ccn(Cc2cccc(F)c2)c(=O)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.55
MAPK14 Q16539 4/20 0.52
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
KCNH2 Q12809 1/20 0.47
PDE1A P54750 1/20 0.46
PDE1B Q01064 1/20 0.46
PDE1C Q14123 1/20 0.46
MAOB P27338 1/20 0.43
DRD2 P14416 1/20 0.42
HTR6 P50406 1/20 0.42

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
SCHEMBL12594012 0.86 MAPK14 (0.70) MCHR1MAPK14KCNH2
SCHEMBL5183913 0.85 MAPK14 (0.59) MCHR1MAPK14KCNH2
SCHEMBL4379071 0.85 MAPK14 (0.68) MCHR1MAPK14KCNH2MAOB
SCHEMBL4382127 0.82 MAPK14 (0.78) MCHR1MAPK14KCNH2
SCHEMBL2176240 0.82 MAPK14 (0.68) MCHR1MAPK14KCNH2
SCHEMBL12487837 0.81 MAPK14 (0.64) MCHR1MAPK14KCNH2
SCHEMBL2179201 0.81 MCHR1 (0.48) MCHR1MAPK14KCNH2
SCHEMBL18347222 0.79 PDE1A (0.47) MAPK14PDE1APDE1BPDE1CDRD2
SCHEMBL4381779 0.79 MAPK14 (0.65) MCHR1MAPK14KCNH2MAOB
SCHEMBL2174934 0.78 MAPK14 (0.52) MCHR1MAPK14KCNH2

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
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed