SCHEMBL13622807

SCHEMBL13622807

O=C(CO)N(C1CCCCC1)C1CCN(C2CC(CO)C2)CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
HTR2A P28223 1/20 0.32
KMT2A Q03164 6/20 0.32
MEN1 O00255 5/20 0.32
ALDH1A1 P00352 4/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MAPK1 P28482 3/20 0.32
TSHR P16473 2/20 0.32
POLB P06746 1/20 0.32
PHGDH O43175 2/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
MGLL Q99685 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 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
SCHEMBL8004907 0.83 HRH3 (0.36) LMNAHTR2AKMT2AMEN1ALDH1A1
SCHEMBL13622797 0.80 HTR2A (0.34) LMNAHTR2AKMT2AMEN1ALDH1A1
SCHEMBL8002704 0.78 HTR6 (0.41) LMNAHTR2AKMT2AMEN1ALDH1A1
SCHEMBL13622805 0.78 EPHX2 (0.33) LMNAHTR2AKMT2AMEN1ALDH1A1
SCHEMBL13622809 0.78 KMT2A (0.44) LMNAKMT2AMEN1ALDH1A1NPSR1
SCHEMBL2090738 0.78 KMT2A (0.44) LMNAKMT2AMEN1ALDH1A1NPSR1
SCHEMBL13622997 0.77 HRH3 (0.35) HTR2AKMT2AMEN1ALDH1A1
SCHEMBL2096559 0.76 KMT2A (0.42) LMNAKMT2AMEN1ALDH1A1NPSR1
SCHEMBL13622841 0.74 HTR2A (0.38) LMNAHTR2AKMT2AMEN1ALDH1A1
SCHEMBL13622839 0.72 SLC6A4 (0.42) LMNAKMT2AMEN1ALDH1A1MAPK1

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-2009136850-A1 MUSCARINIC RECEPTOR AGONITS USEFUL IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA ASTRAZENECA AB (SE) 2009-11-12 WO disclosed