SCHEMBL4719233

SCHEMBL4719233

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

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.39
HRH3 Q9Y5N1 1/20 0.38
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL4720166 0.79 GPR119 (0.33) GPR119
SCHEMBL4594886 0.78 GNAI3 (0.38) GPR119
SCHEMBL4654454 0.77 ITGB3 (0.40) GPR119EPHX1EPHX2
SCHEMBL212033 0.75 CHRM2 (0.42) GPR119HRH3EPHX1HPGD
SCHEMBL1935995 0.73 CHRM2 (0.34) GPR119HRH3EPHX1HPGD
SCHEMBL4064598 0.72 USP2 (0.33) GPR119EPHX1HPGD
SCHEMBL2326335 0.71 EPHX1 (0.40) EPHX1HPGD
SCHEMBL1133757 0.71 NR1H2 (0.43) GPR119EPHX1EPHX2HPGD
SCHEMBL373788 0.71 SMN1; SMN2 (0.43) HRH3HPGD
SCHEMBL29191941 0.71 CTSK (0.52) EPHX1EPHX2

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