SCHEMBL13622806

SCHEMBL13622806

O=C(CO)N(CC1CCCC1)C1CCN([C@H]2CC[C@@H](COCC3CC3)CC2)CC1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 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
SCHEMBL13623043 0.93 UBE2M (0.32) MEN1ALDH1A1KMT2AOPRM1OPRD1
SCHEMBL13622899 0.87 OPRM1 (0.33) ALDH1A1OPRM1OPRD1
SCHEMBL13622803 0.74 MEN1 (0.32) MEN1ALDH1A1KMT2A
SCHEMBL13622805 0.72 EPHX2 (0.33) MEN1ALDH1A1KMT2A
SCHEMBL13622797 0.70 HTR2A (0.34) MEN1ALDH1A1KMT2AOPRM1
SCHEMBL1134576 0.69
SCHEMBL13618227 0.69
SCHEMBL1134575 0.69
SCHEMBL13622851 0.68 HTR2A (0.35) MEN1ALDH1A1KMT2AOPRM1
SCHEMBL4349887 0.67

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