SCHEMBL6979847

SCHEMBL6979847

CCN(CCCCN1CCCCCC1=O)CC(C)c1cccc(S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RCE1 Q9Y256 1/20 0.36
POLB P06746 2/20 0.36
SFRP1 Q8N474 1/20 0.36
BCHE P06276 3/20 0.35
ACHE P22303 3/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL6981559 0.94 ADRA1B (0.41) ADRA1BL3MBTL1RCE1POLBBCHE
SCHEMBL6987894 0.92 ADRA1B (0.37) ADRA1BL3MBTL1LMNAALDH1A1POLB
SCHEMBL6985684 0.89 ADRA1B (0.47) ADRA1BL3MBTL1BCHEACHE
SCHEMBL6985013 0.84 KMT2A (0.39) ADRA1BL3MBTL1ALDH1A1POLBKMT2A
SCHEMBL6987065 0.84 POLB (0.39) ADRA1BL3MBTL1ALDH1A1RCE1POLB
SCHEMBL6977033 0.83 KMT2A (0.38) ADRA1BL3MBTL1ALDH1A1POLBBCHE
SCHEMBL6979427 0.81 CYP2C19 (0.39) ADRA1BL3MBTL1ALDH1A1RCE1POLB
SCHEMBL6986602 0.80 KDM4E (0.41) L3MBTL1LMNAALDH1A1TSHRPOLB
SCHEMBL4870329 0.80 L3MBTL1 (0.40) ADRA1BL3MBTL1LMNAALDH1A1THRB
SCHEMBL6985645 0.80 SLC6A2 (0.35) ADRA1BLMNAALDH1A1POLBKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289965-A1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-03-12 EP disclosed
WO-2001090081-A1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-29 WO disclosed