SCHEMBL13622797

SCHEMBL13622797

CCOC[C@H]1CC[C@@H](N2CCC(N(C(=O)CO)C3CCCCC3)CC2)C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
BCHE P06276 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRL1 P41146 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
SCHEMBL13622795 0.90 HTR2A (0.34) HTR2AMAPTMAPK1MEN1KMT2A
SCHEMBL13622851 0.82 HTR2A (0.35) HTR2AMAPTMAPK1MEN1KMT2A
SCHEMBL13622807 0.80 LMNA (0.33) HTR2AMAPTMAPK1MEN1KMT2A
SCHEMBL13622805 0.80 EPHX2 (0.33) HTR2AMAPTMAPK1MEN1KMT2A
SCHEMBL1134361 0.78
SCHEMBL13618261 0.78
SCHEMBL1134460 0.78
SCHEMBL13623043 0.78 UBE2M (0.32) MAPK1MEN1KMT2AALDH1A1BCHE
SCHEMBL13622841 0.76 HTR2A (0.38) HTR2AMAPTMAPK1MEN1KMT2A
SCHEMBL13622803 0.74 MEN1 (0.32) HTR2AMEN1KMT2ALMNAALDH1A1

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