SCHEMBL23849709

SCHEMBL23849709

C[C@@H]1CC(=O)N1C1CCNCC1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
PLG P00747 3/20 0.32
TP53 P04637 1/20 0.31
NSD3 Q9BZ95 1/20 0.31
HTR2A P28223 3/20 0.31
HTR2C P28335 3/20 0.31
HTR2B P41595 2/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL23849717 1.00 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3PLGTP53
SCHEMBL17001769 0.82 PLG (0.34) SLC6A2SLC6A4SLC6A3PLGTP53
SCHEMBL17001786 0.82 PLG (0.34) SLC6A2SLC6A4SLC6A3PLGTP53
SCHEMBL18444558 0.82 PLG (0.34) SLC6A2SLC6A4SLC6A3PLGTP53
SCHEMBL11229667 0.79 LMNA (0.41) MEN1KMT2A
SCHEMBL14334701 0.76 MEN1 (0.33) SLC6A2SLC6A4SLC6A3PLGTP53
SCHEMBL18477427 0.76 TP53 (0.32) TP53GABRA1GABRG2GABRB3
SCHEMBL18438184 0.76 TP53 (0.32) TP53GABRA1GABRG2GABRB3
Acetic Acid SCHEMBL20292256 0.75 KMT2A (0.36) PLGNSD3GABRA1GABRG2GABRB3
Acetic Acid SCHEMBL16992490 0.75 KMT2A (0.36) PLGNSD3GABRA1GABRG2GABRB3

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
EP-3331529-B1 MUSCARINIC AGONISTS HEPTARES THERAPEUTICS LTD (GB) 2021-09-29 EP disclosed