SCHEMBL6987894

SCHEMBL6987894

CCN(CCCCN1CCCCCC1=O)CC(C)c1cccc(S(C)(=O)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 1/20 0.37
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CCR5 P51681 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
SCHEMBL6979847 0.92 ADRA1B (0.41) ADRA1BPOLBL3MBTL1KMT2ATDP1
SCHEMBL6985013 0.90 KMT2A (0.39) ADRA1BPOLBL3MBTL1KMT2ATDP1
SCHEMBL6981559 0.87 ADRA1B (0.41) ADRA1BPOLBL3MBTL1KMT2ATDP1
SCHEMBL6985684 0.86 ADRA1B (0.47) ADRA1BL3MBTL1BCHEACHE
SCHEMBL6987065 0.85 POLB (0.39) ADRA1BPOLBL3MBTL1KMT2ATDP1
SCHEMBL6985645 0.84 SLC6A2 (0.35) ADRA1BPOLBKMT2ATDP1LMNA
SCHEMBL6977033 0.84 KMT2A (0.38) ADRA1BPOLBL3MBTL1KMT2ATDP1
SCHEMBL6985492 0.84 POLB (0.38) ADRA1BPOLBL3MBTL1KMT2ATDP1
SCHEMBL6979427 0.82 CYP2C19 (0.39) ADRA1BPOLBL3MBTL1KMT2ATDP1
SCHEMBL6983790 0.81 KMT2A (0.39) ADRA1BPOLBL3MBTL1KMT2ATDP1

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