SCHEMBL29946004

SCHEMBL29946004

N#Cc1ccc(CSc2ccn(C3CCNCC3)n2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.39
KDM1A O60341 4/20 0.37
MPO P05164 4/20 0.33
HSD11B1 P28845 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL29945844 0.85 INPPL1 (0.37) SLC6A2SLC6A4SLC6A3JAK2RAB9A
SCHEMBL29945889 0.81 GPR119 (0.47) MAPTSMN1; SMN2
SCHEMBL29945912 0.79 KDM1A (0.39) KDM1ASLC6A2SLC6A4SLC6A3JAK2
SCHEMBL29945923 0.77 MEN1 (0.40) CTSBKDM1AMPOHSD11B1SLC6A2
SCHEMBL24266549 0.72 HTR6 (0.41) KDM1ASLC6A2SLC6A4SLC6A3JAK2
SCHEMBL24265507 0.71 HTR6 (0.46) KDM1ASLC6A2SLC6A4SLC6A3JAK2
SCHEMBL29573778 0.71 HTR6 (0.46) KDM1ASLC6A2SLC6A4SLC6A3JAK2
SCHEMBL24265686 0.71 KDM1A (0.44) KDM1ASLC6A2SLC6A4SLC6A3JAK2
SCHEMBL29574126 0.71 KDM1A (0.44) KDM1ASLC6A2SLC6A4SLC6A3JAK2
SCHEMBL24265925 0.70 INPPL1 (0.40) KDM1ASLC6A2SLC6A4SLC6A3JAK2

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