SCHEMBL13622803

SCHEMBL13622803

O=C(CBr)N(C1CCCC1)C1CCN([C@H]2CC[C@@H](COCC3CC3)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HRH3 Q9Y5N1 4/20 0.31
BCHE P06276 1/20 0.31
LMNA P02545 2/20 0.31
KCNH2 Q12809 2/20 0.31
HTR2A P28223 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL13622851 0.93 HTR2A (0.35) MEN1KMT2AALDH1A1HRH3BCHE
SCHEMBL1134454 0.88
SCHEMBL1134456 0.88
SCHEMBL13618284 0.88
SCHEMBL1134455 0.88
SCHEMBL4349887 0.88
SCHEMBL1134575 0.88
SCHEMBL1134576 0.88
SCHEMBL4340353 0.88
SCHEMBL13618227 0.88

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