SCHEMBL29946013

SCHEMBL29946013

Clc1ccc(COc2ccn(C3CCNCC3)n2)nc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 5/20 0.39
INPPL1 O15357 1/20 0.39
SIGMAR1 Q99720 1/20 0.37
MCHR1 Q99705 6/20 0.36
INSR P06213 1/20 0.35
NPM1 P06748 1/20 0.35
ALK Q9UM73 1/20 0.35
JAK2 O60674 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PIM1 P11309 1/20 0.33

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
SCHEMBL29945931 0.84 MAP4K3 (0.50) MAP4K3INPPL1SIGMAR1MCHR1
SCHEMBL29946022 0.78 NR3C1 (0.44)
SCHEMBL29945894 0.78 INPPL1 (0.46) MAP4K3INPPL1MCHR1INSRNPM1
SCHEMBL29946021 0.78 INPPL1 (0.43) MAP4K3INPPL1SIGMAR1
SCHEMBL24265554 0.76 MAP4K3 (0.48) MAP4K3SIGMAR1
SCHEMBL14635365 0.75 SIGMAR1 (0.43) SIGMAR1INSRNPM1ALKPIM1
SCHEMBL29946073 0.75 MAP4K3 (0.49) MAP4K3SIGMAR1PIM1
SCHEMBL29946008 0.73 INPPL1 (0.43) MAP4K3INPPL1SIGMAR1ALK
SCHEMBL29945954 0.72 KDM1A (0.40) MAP4K3SIGMAR1ALK
SCHEMBL25284217 0.71 ALOX5AP (0.39) ALOX5APFEN1

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