SCHEMBL14730239

SCHEMBL14730239

CNC1CCN(c2nc(C3CC3)no2)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.43
OPRK1 P41145 7/20 0.40
LCAT P04180 1/20 0.39
HRH4 Q9H3N8 6/20 0.38
CHRM3 P20309 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
SMYD3 Q9H7B4 1/20 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
SCHEMBL14730310 0.84 OPRK1 (0.44) GPR119OPRK1LCATCHRM3PDE4A
SCHEMBL19454413 0.82 GPR119 (0.46) GPR119OPRK1LCATCHRM3PDE4A
SCHEMBL3694402 0.80 GPR119 (0.59) GPR119OPRK1LCATCHRM3PDE4A
SCHEMBL19399166 0.78 CHRM3 (0.47) GPR119LCATCHRM3PDE4APDE4B
SCHEMBL11956862 0.78 CHRM3 (0.45) GPR119OPRK1LCATCHRM3PDE4A
SCHEMBL6128099 0.78 OPRK1 (0.49) GPR119OPRK1PDE4APDE4BPDE4C
SCHEMBL14730237 0.77 HRH4 (0.39) GPR119HRH4
SCHEMBL14730194 0.77 OPRK1 (0.40) GPR119OPRK1HRH4
SCHEMBL6118213 0.77 GPR119 (0.68) GPR119HRH4
Hydrochloric Acid SCHEMBL14723195 0.76 OPRK1 (0.39) GPR119OPRK1HRH4

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