SCHEMBL6985829

SCHEMBL6985829

CCN(CCCN1CCCCCC1=O)CC(C)c1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.37
KMT2A Q03164 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CYP2C19 P33261 2/20 0.34
ADRA1B P35368 2/20 0.34
ADRA1A P35348 1/20 0.34
HPGD P15428 3/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL6985464 0.94 LMNA (0.36) POLBKMT2ATDP1MAPK1LMNA
SCHEMBL6987065 0.86 POLB (0.39) POLBKMT2ATDP1KDM4EALDH1A1
SCHEMBL6985013 0.86 KMT2A (0.39) POLBKMT2ATDP1KDM4EALDH1A1
SCHEMBL6977033 0.85 KMT2A (0.38) POLBKMT2ATDP1KDM4EALDH1A1
SCHEMBL6981559 0.84 ADRA1B (0.41) POLBKMT2ATDP1L3MBTL1ADRA1B
SCHEMBL6979427 0.83 CYP2C19 (0.39) POLBKMT2ATDP1SMN1; SMN2KDM4E
SCHEMBL6983790 0.82 KMT2A (0.39) POLBKMT2ATDP1KDM4EALDH1A1
SCHEMBL6986602 0.82 KDM4E (0.41) POLBKMT2ATDP1LMNASMN1; SMN2
SCHEMBL6985684 0.81 ADRA1B (0.47) L3MBTL1ADRA1BADRA1A
SCHEMBL6986401 0.80 TSHR (0.48) POLBKMT2ALMNAHTTSMN1; SMN2

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