SCHEMBL8549016

SCHEMBL8549016

CCN(C(=O)c1cnc(N2CC[C@@H](N)C2)nc1)C1CCN(c2nc(C(F)F)no2)CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.34
DGAT2 Q96PD7 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
AOC3 Q16853 2/20 0.34
CAMK1D Q8IU85 8/20 0.33
PIP5K1C O60331 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RIPK4 P57078 1/20 0.32
KCNH2 Q12809 1/20 0.32
MAP2K5 Q13163 1/20 0.32
CAMK1 Q14012 1/20 0.32
MAP3K11 Q16584 1/20 0.32
PNCK Q6P2M8 1/20 0.32
CAMK1G Q96NX5 1/20 0.32
GPR183 P32249 1/20 0.32
MELK Q14680 2/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL14730283 0.84 DPP4 (0.40) KCNH2
SCHEMBL14730235 0.82 DPP4 (0.35) KCNH2
SCHEMBL8592971 0.78 ALOX5AP (0.35) GPR119HDAC6AOC3CAMK1DKCNH2
SCHEMBL8592327 0.76 ALOX5AP (0.37) GPR119CAMK1DHRH3
SCHEMBL14730361 0.76 GPR119 (0.35) GPR119CYP2C19KCNH2GPR183
SCHEMBL14730230 0.76 DPP4 (0.38) KCNH2
Hydrochloric Acid SCHEMBL14723514 0.75 GPR119 (0.49) GPR119KCNH2GPR183HRH3
SCHEMBL14730173 0.74 PDK2 (0.34)
SCHEMBL14730185 0.74 GPR119 (0.34) GPR119KCNH2GPR183
SCHEMBL14730288 0.73 DPP4 (0.41) KCNH2

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
WO-2012066077-A1 1,4 DI SUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2012-05-24 WO disclosed