SCHEMBL19088850

SCHEMBL19088850

CC(C)N1CCC[C@H]1CNC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
CHRM3 P20309 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
GFER P55789 1/20 0.40
DRD2 P14416 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
GLP1R P43220 7/20 0.38
HTT P42858 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL19088851 1.00 EPHX1 (0.41) EPHX1CHRM3L3MBTL1GFERDRD2
SCHEMBL21739082 0.92 GFER (0.41) EPHX1L3MBTL1GFERDRD2KMT2A
SCHEMBL28276400 0.81 MEN1 (0.41) EPHX1L3MBTL1GFERDRD2KMT2A
SCHEMBL8038051 0.81 EPHX1 (0.43) EPHX1CHRM3L3MBTL1DRD2KMT2A
SCHEMBL8055435 0.81 EPHX1 (0.43) EPHX1CHRM3L3MBTL1DRD2KMT2A
SCHEMBL1922016 0.80 DRD2 (0.43) EPHX1L3MBTL1GFERDRD2KMT2A
SCHEMBL28539035 0.80 ITGB3 (0.38) EPHX1GFERDRD2KMT2AMEN1
SCHEMBL28539036 0.80 ITGB3 (0.38) EPHX1GFERDRD2KMT2AMEN1
SCHEMBL28539034 0.80 ITGB3 (0.38) EPHX1GFERDRD2KMT2AMEN1
SCHEMBL20608338 0.79 GLP1R (0.46) CHRM3L3MBTL1KMT2AALDH1A1GLP1R

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-2017117556-A1 POSITIVE ALLOSTERIC MODULATORS OF THE GLP-1 RECEPTOR VANDERBILT UNIVERSITY (US) 2017-07-06 WO disclosed