SCHEMBL29945894

SCHEMBL29945894

Fc1cc(Cl)ccc1COc1ccn(C2CCNCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 1/20 0.46
MAP4K3 Q8IVH8 5/20 0.40
JAK2 O60674 1/20 0.40
ALK Q9UM73 2/20 0.40
INSR P06213 1/20 0.40
NPM1 P06748 1/20 0.40
MCHR1 Q99705 3/20 0.39
HTR6 P50406 1/20 0.39
SLC6A4 P31645 3/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 2/20 0.37
MET P08581 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
GLP1R P43220 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL29946002 0.89 HTR6 (0.49) INPPL1MAP4K3JAK2ALKINSR
SCHEMBL29945912 0.85 KDM1A (0.39) MAP4K3JAK2ALKHTR6SLC6A4
SCHEMBL29946021 0.84 INPPL1 (0.43) INPPL1MAP4K3
SCHEMBL29946064 0.82 INPPL1 (0.46) INPPL1MAP4K3JAK2ALKMCHR1
SCHEMBL29945931 0.81 MAP4K3 (0.50) INPPL1MAP4K3MCHR1HTR6SLC6A4
SCHEMBL29945877 0.80 GPR119 (0.43)
SCHEMBL29946008 0.79 INPPL1 (0.43) INPPL1MAP4K3ALKSLC6A4SLC6A2
SCHEMBL29946013 0.78 MAP4K3 (0.39) INPPL1MAP4K3JAK2ALKINSR
SCHEMBL29945844 0.78 INPPL1 (0.37) INPPL1MAP4K3JAK2ALKINSR
SCHEMBL30583851 0.76 HTR6 (0.45) MCHR1HTR6SLC6A4SLC6A2SLC6A3

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-2022184849-A1 GLP-1R AGONISTS, USES AND PHARMACEUTICAL COMPOSITIONS THEREOF LES LABORATOIRES SERVIER (FR) 2022-09-09 WO disclosed