SCHEMBL6982739

SCHEMBL6982739

CCN(CCCCN1CCCCC1=O)CC(C)c1cc(OC)c(Br)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.39
ACHE P22303 5/20 0.39
POLB P06746 1/20 0.38
PGK1 P00558 1/20 0.37
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.34
HTR2A P28223 1/20 0.34
MAOB P27338 2/20 0.33
PDE4B Q07343 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL4873666 0.78 HTR2A (0.45) BCHEACHEPOLBPGK1TSHR
SCHEMBL6980148 0.77 SMN1; SMN2 (0.43) BCHEACHEPOLBALDH1A1KMT2A
SCHEMBL6981458 0.77 SMN1; SMN2 (0.43) BCHEACHEPOLBALDH1A1KMT2A
SCHEMBL6985684 0.75 ADRA1B (0.47) BCHEACHEL3MBTL1MAOB
SCHEMBL6978015 0.72 MEN1 (0.39) BCHEACHEALDH1A1KMT2A
SCHEMBL6987894 0.71 ADRA1B (0.37) BCHEACHEPOLBALDH1A1L3MBTL1
SCHEMBL6985013 0.70 KMT2A (0.39) POLBALDH1A1L3MBTL1KMT2AKDM4E
SCHEMBL6987065 0.70 POLB (0.39) BCHEACHEPOLBALDH1A1L3MBTL1
SCHEMBL6979847 0.70 ADRA1B (0.41) BCHEACHEPOLBALDH1A1L3MBTL1
SCHEMBL6977033 0.70 KMT2A (0.38) BCHEACHEPOLBALDH1A1L3MBTL1

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