SCHEMBL4720166

SCHEMBL4720166

CC(C)(C)OC(=O)ON1CCC(C2CCN(CC(F)(F)F)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.33
HPGDS O60760 3/20 0.32
LIPE Q05469 1/20 0.31
JAK1 P23458 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL4719233 0.79 GPR119 (0.39) GPR119
SCHEMBL4718432 0.77 ALDH1A1 (0.34) GPR119
SCHEMBL4594886 0.77 GNAI3 (0.38) GPR119
SCHEMBL5165695 0.76 LMNA (0.38) GPR119
SCHEMBL28058828 0.74 OPRM1 (0.35) OPRM1OPRD1OPRK1
SCHEMBL212033 0.74 CHRM2 (0.42) GPR119
SCHEMBL1133757 0.73 NR1H2 (0.43) GPR119
SCHEMBL4654454 0.73 ITGB3 (0.40) GPR119
SCHEMBL1935995 0.72 CHRM2 (0.34) GPR119
SCHEMBL5258386 0.72 NCF1 (0.40) GPR119

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
EP-1558600-B1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2008-05-07 EP disclosed