SCHEMBL14730200

SCHEMBL14730200

CC(F)(F)c1noc(N2CCC(NCC(F)(F)F)CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.36
GPR119 Q8TDV5 4/20 0.36
ALOX5AP P20292 6/20 0.34
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
LRRK2 Q5S007 2/20 0.32
HRH4 Q9H3N8 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
SCHEMBL14730311 0.88 GPR119 (0.36) OPRK1GPR119ALOX5APHDAC1HDAC8
SCHEMBL14730199 0.86 GPR119 (0.35) OPRK1GPR119ALOX5APHDAC1HDAC8
SCHEMBL8614384 0.85 OPRK1 (0.36) OPRK1GPR119ALOX5APHRH4
SCHEMBL8614390 0.84 GPR119 (0.38) OPRK1GPR119ALOX5AP
SCHEMBL6125573 0.84 GPR119 (0.38) GPR119ALOX5APHRH4
Hydrochloric Acid SCHEMBL6125721 0.83 GPR119 (0.37) GPR119ALOX5APHRH4
SCHEMBL14730201 0.81 GPR119 (0.41) OPRK1GPR119ALOX5AP
SCHEMBL6125572 0.77 GPR119 (0.41) GPR119ALOX5AP
SCHEMBL14730328 0.77 GPR119 (0.37) OPRK1GPR119ALOX5APHRH4
SCHEMBL14730240 0.76 GPR119 (0.42) GPR119ALOX5APHRH4

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