SCHEMBL23980816

SCHEMBL23980816

CC(C)(C)OC(=O)N1CCN(c2cccc3c2OCC(c2ccc(Cl)cc2)O3)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LTA4H P09960 7/20 0.43
STS P08842 3/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MC4R P32245 3/20 0.41
BACE1 P56817 2/20 0.40
GAA P10253 1/20 0.40
UTS2R Q9UKP6 1/20 0.39

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
SCHEMBL23980815 0.87 LTA4H (0.39) MEN1KMT2ALTA4H
SCHEMBL23980778 0.86 CYP3A4 (0.42) MEN1KMT2ASTSHTTUTS2R
SCHEMBL30564498 0.86 CYP3A4 (0.42) MEN1KMT2ASTSHTTUTS2R
SCHEMBL25403420 0.85 MEN1 (0.43) MEN1KMT2ASTSSMN1; SMN2NPSR1
SCHEMBL27288015 0.85 MEN1 (0.43) MEN1KMT2ASTSSMN1; SMN2NPSR1
SCHEMBL23980870 0.85 MEN1 (0.43) MEN1KMT2ASTSSMN1; SMN2NPSR1
SCHEMBL25406089 0.80 PDK4 (0.50) MEN1KMT2A
SCHEMBL27288009 0.80 PDK4 (0.50) MEN1KMT2A
SCHEMBL23980819 0.80 PDK4 (0.50) MEN1KMT2A
SCHEMBL24186580 0.79 CYP3A4 (0.42) MEN1KMT2ASTSHTTGAA

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-2021219019-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. (US) 2021-11-04 WO disclosed