SCHEMBL13622841

SCHEMBL13622841

CCCOC1CCC(N2CCC(N(C(=O)CO)C3CCCCC3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
HRH3 Q9Y5N1 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
F2 P00734 3/20 0.32
PRSS1 P07477 3/20 0.32
CHRM1 P11229 1/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13622805 0.84 EPHX2 (0.33) HTR2AHRH3MAPTMAPK1MEN1
SCHEMBL8004907 0.77 HRH3 (0.36) HTR2AHRH3MEN1KMT2AALDH1A1
SCHEMBL13622797 0.76 HTR2A (0.34) HTR2AMAPTMAPK1MEN1KMT2A
SCHEMBL601803 0.74 TAAR1 (0.35) HTR2AMEN1KMT2AALDH1A1CHRM1
SCHEMBL600637 0.74 TAAR1 (0.35) HTR2AMEN1KMT2AALDH1A1CHRM1
SCHEMBL600638 0.74 TAAR1 (0.35) HTR2AMEN1KMT2AALDH1A1CHRM1
SCHEMBL13622807 0.74 LMNA (0.33) HTR2AMAPTMAPK1MEN1KMT2A
SCHEMBL13631253 0.72 KMT2A (0.41) HTR2AHRH3MAPTMAPK1MEN1
SCHEMBL8002704 0.72 HTR6 (0.41) HTR2AMEN1KMT2AALDH1A1LMNA
SCHEMBL2090738 0.72 KMT2A (0.44) MAPK1MEN1KMT2AALDH1A1LMNA

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