SCHEMBL13622997

SCHEMBL13622997

O=C(CO)N(C1CCN(C2CCCCC2)CC1)[C@@H]1CCCC(F)(F)C1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.35
KCNH2 Q12809 2/20 0.35
HTR2A P28223 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
AGTR2 P50052 2/20 0.32
SIGMAR1 Q99720 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
SCHEMBL13623001 0.83
SCHEMBL13622767 0.78 SLC6A4 (0.34) KCNH2AGTR2
SCHEMBL8004907 0.77 HRH3 (0.36) HRH3KCNH2HTR2AMEN1KMT2A
SCHEMBL13622807 0.77 LMNA (0.33) HTR2AMEN1KMT2AALDH1A1
SCHEMBL8002704 0.72 HTR6 (0.41) KCNH2HTR2AMEN1KMT2AALDH1A1
SCHEMBL13622805 0.72 EPHX2 (0.33) HRH3HTR2AMEN1KMT2AALDH1A1
SCHEMBL13622809 0.72 KMT2A (0.44) MEN1KMT2AALDH1A1
SCHEMBL2090738 0.72 KMT2A (0.44) MEN1KMT2AALDH1A1
SCHEMBL13622841 0.71 HTR2A (0.38) HRH3HTR2AMEN1KMT2AALDH1A1
SCHEMBL13478900 0.70 ALDH1A1 (0.43) HRH3MEN1KMT2AALDH1A1SIGMAR1

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