SCHEMBL7103043

SCHEMBL7103043

CC(C)(C)OC(=O)[N+]1(C2CCNCC2)CCC(Oc2ccc(F)c(F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.41
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36
HRH1 P35367 3/20 0.35
CCR3 P51677 1/20 0.35
ROCK1 Q13464 2/20 0.34
ROCK2 O75116 1/20 0.34
PRKACA P17612 1/20 0.34
PRKCD Q05655 1/20 0.34
PRKG1 Q13976 1/20 0.34
PKN1 Q16512 1/20 0.34
PKN2 Q16513 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
CDC42BPA Q5VT25 1/20 0.34
Q6ZSR9 Q6ZSR9 1/20 0.34
BMP2K Q9NSY1 1/20 0.34
CDC42BPB Q9Y5S2 1/20 0.34
CACNA1H O95180 2/20 0.34

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
SCHEMBL6681927 0.85 SLC6A4 (0.43) HRH1CCR3
SCHEMBL7093891 0.81 GPR119 (0.52) GPR119HRH1HRH3
SCHEMBL716207 0.74 HRH1 (0.55) HRH1ROCK1ROCK2PRKACAPRKCD
SCHEMBL6673776 0.74 CHRM2 (0.36)
Hydrochloric Acid SCHEMBL2777776 0.73 HRH1 (0.53) HRH1ROCK1ROCK2PRKACAPRKCD
Hydrochloric Acid SCHEMBL31647127 0.73 HRH1 (0.53) HRH1ROCK1ROCK2PRKACAPRKCD
SCHEMBL7575563 0.72
SCHEMBL2774468 0.71 GPR119 (0.71) GPR119HRH1CCR3HRH3S1PR3
SCHEMBL6612990 0.70 SLC6A2 (0.37) HRH1
SCHEMBL22266021 0.69 GPR119 (0.55) GPR119CACNA1HGRIN1GRIN2BHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1274701-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2003-01-15 EP disclosed
WO-2001077101-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2001-10-18 WO disclosed