SCHEMBL13622795

SCHEMBL13622795

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
RAB9A P51151 1/20 0.32
PAX8 Q06710 1/20 0.32
LMNA P02545 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CHRM1 P11229 1/20 0.31
BCHE P06276 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
SCHEMBL13622797 0.90 HTR2A (0.34) HTR2AMAPTMAPK1MEN1KMT2A
SCHEMBL1134460 0.88
SCHEMBL1134361 0.88
SCHEMBL13618261 0.88
SCHEMBL13622851 0.81 HTR2A (0.35) HTR2AMAPTMAPK1MEN1KMT2A
SCHEMBL13622803 0.73 MEN1 (0.32) HTR2AMEN1KMT2AALDH1A1LMNA
SCHEMBL13631263 0.73 THRB (0.43) ALDH1A1CHRM1
SCHEMBL6482034 0.71 KMT2A (0.51) MAPK1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13623043 0.70 UBE2M (0.32) MAPK1MEN1KMT2AALDH1A1CHRM1
SCHEMBL13618239 0.70 BCHE (0.31) BCHE

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