SCHEMBL23980954

SCHEMBL23980954

CC(C)(C)OC(=O)N1CCC(c2cccc3c2OCCO3)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.51
GPR119 Q8TDV5 2/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
THRB P10828 1/20 0.46
NAMPT P43490 1/20 0.44
UTS2R Q9UKP6 1/20 0.44

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
SCHEMBL30659413 0.82 MAPK1 (0.47) GPR119MAPTKDM4ETHRBNAMPT
SCHEMBL23980945 0.81 GPR119 (0.45) GPR119MAPTKDM4ETHRBNAMPT
SCHEMBL21198677 0.80 ADRB1 (0.52) HTR1A
SCHEMBL29691314 0.79 GPR119 (0.57) GPR119MAPTKDM4ETHRBNAMPT
SCHEMBL23210070 0.79 GPR119 (0.57) GPR119MAPTKDM4ETHRBNAMPT
SCHEMBL25403420 0.79 MEN1 (0.43) NAMPTUTS2R
SCHEMBL27288015 0.79 MEN1 (0.43) NAMPTUTS2R
SCHEMBL23980870 0.79 MEN1 (0.43) NAMPTUTS2R
SCHEMBL3281416 0.79 MAPK1 (0.46) HTR1AGPR119NAMPT
SCHEMBL25723375 0.79 MAPT (0.50) GPR119MAPTKDM4ETHRB

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