SCHEMBL6986401

SCHEMBL6986401

CCN(CCCCN1CCCCCC1=O)CC(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
ALDH1A1 P00352 7/20 0.42
POLB P06746 2/20 0.41
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 3/20 0.39
ATM Q13315 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL6986602 0.91 KDM4E (0.41) TSHRALDH1A1POLBKDM4EKMT2A
SCHEMBL6985013 0.86 KMT2A (0.39) ALDH1A1POLBKDM4EKMT2AL3MBTL1
SCHEMBL6987065 0.86 POLB (0.39) ALDH1A1POLBKDM4EKMT2AL3MBTL1
SCHEMBL6977033 0.86 KMT2A (0.38) ALDH1A1POLBKDM4EKMT2AL3MBTL1
SCHEMBL6981559 0.85 ADRA1B (0.41) POLBKMT2AL3MBTL1
SCHEMBL6979427 0.84 CYP2C19 (0.39) ALDH1A1POLBKDM4EKMT2AL3MBTL1
SCHEMBL6985684 0.82 ADRA1B (0.47) L3MBTL1
SCHEMBL4877154 0.82 TSHR (0.51) TSHRALDH1A1POLBKDM4EKMT2A
SCHEMBL6985829 0.80 POLB (0.37) ALDH1A1POLBKDM4EKMT2AL3MBTL1
SCHEMBL6985492 0.80 POLB (0.38) ALDH1A1POLBKDM4EKMT2AL3MBTL1

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