SCHEMBL6985724

SCHEMBL6985724

CC(CN(CCCCN1CCCCC1=O)C(C)C)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADRA1B P35368 2/20 0.37
ADRA1A P35348 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP2C19 P33261 3/20 0.35
MCHR1 Q99705 1/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL6985013 0.87 KMT2A (0.39) KMT2APOLBTDP1ADRA1BADRA1A
SCHEMBL6985492 0.86 POLB (0.38) KMT2APOLBTDP1ADRA1BADRA1A
SCHEMBL6983790 0.83 KMT2A (0.39) KMT2APOLBTDP1ADRA1BADRA1A
SCHEMBL4875603 0.80 POLB (0.37) KMT2APOLBTDP1L3MBTL1ALDH1A1
SCHEMBL4873840 0.80 POLB (0.37) KMT2APOLBTDP1L3MBTL1ALDH1A1
SCHEMBL4876330 0.80 POLB (0.37) KMT2APOLBTDP1L3MBTL1ALDH1A1
SCHEMBL6987065 0.79 POLB (0.39) KMT2APOLBTDP1ADRA1BADRA1A
SCHEMBL4866722 0.79 POLB (0.36) KMT2APOLBTDP1L3MBTL1ALDH1A1
SCHEMBL6977033 0.78 KMT2A (0.38) KMT2APOLBTDP1ADRA1BADRA1A
SCHEMBL6977704 0.78 HTR7 (0.40) ADRA1BHPGDGAA

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