SCHEMBL29945844

SCHEMBL29945844

Fc1cc(Cl)ccc1CSc1ccn(C2CCNCC2)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 1/20 0.37
INSR P06213 1/20 0.36
NPM1 P06748 1/20 0.36
ALK Q9UM73 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
MAP4K3 Q8IVH8 2/20 0.34
JAK2 O60674 1/20 0.34
CXCR3 P49682 3/20 0.34
PIM1 P11309 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRM1 P35372 1/20 0.33
IDO1 P14902 2/20 0.33
FPR2 P25090 2/20 0.32
PROKR1 Q8TCW9 2/20 0.32
KCNH2 Q12809 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
SCHEMBL29946004 0.85 CTSB (0.39) ALKSLC6A2SLC6A4SLC6A3JAK2
SCHEMBL29945820 0.79 MAPT (0.46) KMT2ASMN1; SMN2
SCHEMBL29945894 0.78 INPPL1 (0.46) INPPL1INSRNPM1ALKSLC6A2
SCHEMBL29946030 0.76 MEN1 (0.41) INPPL1SLC6A2SLC6A4SLC6A3CXCR3
SCHEMBL29946064 0.71 INPPL1 (0.46) INPPL1ALKSLC6A2SLC6A4SLC6A3
SCHEMBL28086989 0.67 FPR2 (0.48) SLC6A2SLC6A4SLC6A3CXCR3FPR2
SCHEMBL29946026 0.67 SMN1; SMN2 (0.38) KMT2AIDO1RAB9ASMN1; SMN2
SCHEMBL29946002 0.66 HTR6 (0.49) INPPL1INSRNPM1ALKSLC6A2
SCHEMBL8152659 0.65 KMT2A (0.57) KMT2AIDO1RAB9ASMN1; SMN2
Bromide SCHEMBL3173149 0.64 KMT2A (0.56) KMT2AIDO1RAB9ASMN1; SMN2

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