SCHEMBL6985464

SCHEMBL6985464

CCN(CCN1CCCCCC1=O)CC(C)c1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 2/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
ADAMTS5 Q9UNA0 3/20 0.33
AOC2 O75106 2/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C19 P33261 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL6985829 0.94 POLB (0.37) LMNAMAPK1HTTSMN1; SMN2POLB
SCHEMBL7135238 0.84 ADRA1B (0.44) KMT2AALDH1A1CYP2C19ADRA1AADRA1B
SCHEMBL6985013 0.82 KMT2A (0.39) POLBKMT2ATDP1KDM4EALDH1A1
SCHEMBL6987065 0.82 POLB (0.39) POLBKMT2ATDP1AOC2KDM4E
SCHEMBL6986746 0.81 SMN1; SMN2 (0.41) HTTSMN1; SMN2POLBKMT2ASLC6A4
SCHEMBL6977033 0.81 KMT2A (0.38) POLBKMT2ATDP1KDM4EALDH1A1
SCHEMBL6981559 0.80 ADRA1B (0.41) POLBKMT2ATDP1L3MBTL1ADRA1B
SCHEMBL4866678 0.80 ADAMTS5 (0.38) LMNAMAPK1HTTSMN1; SMN2POLB
SCHEMBL6979427 0.79 CYP2C19 (0.39) SMN1; SMN2POLBKMT2ATDP1AOC2
SCHEMBL6986602 0.78 KDM4E (0.41) LMNASMN1; SMN2POLBKMT2ATDP1

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