SCHEMBL13623335

SCHEMBL13623335

COCC(=O)N(C1CCNCC1)[C@H]1CCCC(F)(F)C1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.34
SLC6A2 P23975 10/20 0.34
SLC6A3 Q01959 5/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
KCNH2 Q12809 3/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
AGTR2 P50052 2/20 0.31
CYP2D6 P10635 1/20 0.30
PER2 O15055 1/20 0.30
CRY1 Q16526 1/20 0.30
CRY2 Q49AN0 1/20 0.30
GAA P10253 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
SCHEMBL13630982 1.00 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3KMT2AMEN1
SCHEMBL13622767 0.84 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3KCNH2AGTR2
SCHEMBL8003405 0.82 KMT2A (0.43) SLC6A4SLC6A2SLC6A3KMT2AMEN1
SCHEMBL2091299 0.73 KMT2A (0.50) KMT2AMEN1ALDH1A1POLBTSHR
SCHEMBL2093629 0.71 KMT2A (0.49) KMT2AMEN1ALDH1A1POLBTSHR
SCHEMBL22797998 0.71 TACR1 (0.33) SLC6A4SLC6A2SLC6A3KMT2AMEN1
SCHEMBL1088743 0.69 ALDH1A1 (0.40) SLC6A4SLC6A2KMT2AMEN1KCNH2
SCHEMBL25930907 0.68 SLC6A4 (0.33) SLC6A4SLC6A2SLC6A3KCNH2TSHR
SCHEMBL13622772 0.68 SLC6A4 (0.31) SLC6A4
SCHEMBL1309394 0.66 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3KCNH2POLB

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