SCHEMBL14730241

SCHEMBL14730241

CNC1CCN(c2nc(C(F)(F)F)no2)CC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.38
HRH4 Q9H3N8 10/20 0.38
KCNH2 Q12809 2/20 0.35
ALOX5AP P20292 3/20 0.35
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL14730240 0.90 GPR119 (0.42) GPR119HRH4ALOX5APHRH3
SCHEMBL6125573 0.90 GPR119 (0.38) GPR119HRH4ALOX5APHRH3
Hydrochloric Acid SCHEMBL6125721 0.89 GPR119 (0.37) GPR119HRH4ALOX5APHRH3
Hydrochloric Acid SCHEMBL14723462 0.89 GPR119 (0.41) GPR119HRH4ALOX5APHRH3
SCHEMBL14730237 0.87 HRH4 (0.39) GPR119HRH4KCNH2ALOX5APHRH3
SCHEMBL8614390 0.78 GPR119 (0.38) GPR119ALOX5AP
SCHEMBL19434409 0.77 GPR119 (0.46) GPR119KCNH2ALOX5AP
SCHEMBL470682 0.77 GPR119 (0.46) GPR119KCNH2ALOX5AP
SCHEMBL14730232 0.77 GPR119 (0.51) GPR119HRH4
SCHEMBL19457227 0.76 GPR119 (0.42) GPR119KCNH2ALOX5AP

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-2013026587-A1 1,4 DISUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2013-02-28 WO disclosed