SCHEMBL29945931

SCHEMBL29945931

Clc1ccc(COc2ccn(C3CCNCC3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 6/20 0.50
HTR6 P50406 1/20 0.46
SLC6A4 P31645 3/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CCR5 P51681 1/20 0.39
ABCB1 P08183 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
INPPL1 O15357 1/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
REN P00797 2/20 0.37
SRC P12931 1/20 0.37
MCHR1 Q99705 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
SCHEMBL24265554 0.87 MAP4K3 (0.48) MAP4K3SLC6A4SLC6A2SLC6A3SIGMAR1
SCHEMBL29946073 0.86 MAP4K3 (0.49) MAP4K3HTR6SLC6A4SLC6A2SLC6A3
SCHEMBL29945954 0.85 KDM1A (0.40) MAP4K3SLC6A4SLC6A2SLC6A3SIGMAR1
SCHEMBL29946013 0.84 MAP4K3 (0.39) MAP4K3SIGMAR1INPPL1MCHR1
SCHEMBL29945894 0.81 INPPL1 (0.46) MAP4K3HTR6SLC6A4SLC6A2SLC6A3
SCHEMBL29946021 0.79 INPPL1 (0.43) MAP4K3SIGMAR1INPPL1
SCHEMBL14635365 0.78 SIGMAR1 (0.43) SIGMAR1HTR2CSRC
SCHEMBL29946016 0.77 GPR119 (0.46)
SCHEMBL29946008 0.76 INPPL1 (0.43) MAP4K3SLC6A4SLC6A2SLC6A3SIGMAR1
SCHEMBL29946002 0.73 HTR6 (0.49) MAP4K3HTR6SLC6A4SLC6A2SLC6A3

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