SCHEMBL23723712

SCHEMBL23723712

CN[C@H](C=O)N1CCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.46
SLC6A4 P31645 4/20 0.46
GAA P10253 3/20 0.41
GFER P55789 1/20 0.41
NOTUM Q6P988 1/20 0.41
MAPT P10636 6/20 0.41
TP53 P04637 4/20 0.41
NPC1 O15118 3/20 0.40
NFKB1 P19838 3/20 0.40
RAB9A P51151 3/20 0.40
NFKB2 Q00653 3/20 0.40
RELA Q04206 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PKM P14618 3/20 0.40
USP2 O75604 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
CDK4 P11802 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL27675115 0.79 NOTUM (0.45) SLC6A2SLC6A4GAAGFERNOTUM
SCHEMBL27463313 0.76 ALDH1A1 (0.42) SLC6A2SLC6A4GAAGFERNOTUM
SCHEMBL19953534 0.76 MEN1 (0.42) SLC6A2SLC6A4GAAGFERNOTUM
SCHEMBL25333374 0.76 SLC6A2 (0.43) SLC6A2SLC6A4GAAGFERNOTUM
SCHEMBL28292118 0.73 MAPT (0.48) SLC6A2SLC6A4GAANOTUMMAPT
SCHEMBL27675111 0.72 GAA (0.56) SLC6A2SLC6A4GAAGFERNOTUM
SCHEMBL1102007 0.72 ALDH1A1 (0.48) SLC6A2SLC6A4GAAGFERNOTUM
SCHEMBL28647947 0.72 ALDH1A1 (0.42) SLC6A2SLC6A4GAAGFERNOTUM
SCHEMBL28292859 0.72 ALDH1A1 (0.42) SLC6A2SLC6A4GAAGFERNOTUM
SCHEMBL27342036 0.72 ALDH1A1 (0.42) SLC6A2SLC6A4GAAGFERNOTUM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4100015-A1 COMBINATION THERAPY FOR TREATING MPS1 Gain Therapeutics SA (CH) 2022-12-14 EP disclosed
WO-2021156774-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2021-08-12 WO disclosed