SCHEMBL6981559

SCHEMBL6981559

CCN(CCCCN1CCCCCC1=O)CC(C)c1ccc(S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 1/20 0.41
CHRM2 P08172 6/20 0.39
CHRM1 P11229 6/20 0.39
POLB P06746 2/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RCE1 Q9Y256 1/20 0.36
BCHE P06276 3/20 0.36
ACHE P22303 3/20 0.36

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
SCHEMBL6979847 0.94 ADRA1B (0.41) ADRA1BPOLBKMT2ATDP1L3MBTL1
SCHEMBL6985684 0.92 ADRA1B (0.47) ADRA1BCHRM2CHRM1L3MBTL1BCHE
SCHEMBL6985013 0.90 KMT2A (0.39) ADRA1BCHRM2CHRM1POLBKMT2A
SCHEMBL6987065 0.90 POLB (0.39) ADRA1BPOLBKMT2ATDP1L3MBTL1
SCHEMBL6977033 0.90 KMT2A (0.38) ADRA1BPOLBKMT2ATDP1L3MBTL1
SCHEMBL6979427 0.88 CYP2C19 (0.39) ADRA1BPOLBKMT2ATDP1L3MBTL1
SCHEMBL6987894 0.87 ADRA1B (0.37) ADRA1BPOLBKMT2ATDP1L3MBTL1
SCHEMBL6986602 0.86 KDM4E (0.41) POLBKMT2ATDP1L3MBTL1
SCHEMBL6986401 0.85 TSHR (0.48) POLBKMT2AL3MBTL1
SCHEMBL6981934 0.84 KDM4E (0.35) ADRA1BPOLBKMT2ATDP1L3MBTL1

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