SCHEMBL6985645

SCHEMBL6985645

CCN(CCCCN1CCCCCC1=O)CC(C)c1ccc(S(C)(=O)=O)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
RAB9A P51151 1/20 0.35
ADRA1B P35368 3/20 0.34
ADRA1A P35348 2/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
MCHR1 Q99705 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 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
SCHEMBL6985013 0.86 KMT2A (0.39) ADRA1BADRA1AMCHR1ALDH1A1POLB
SCHEMBL6987894 0.84 ADRA1B (0.37) ADRA1BALDH1A1POLBLMNAKMT2A
SCHEMBL6987065 0.82 POLB (0.39) ADRA1BADRA1AALDH1A1POLBKMT2A
SCHEMBL6985684 0.82 ADRA1B (0.47) ADRA1BADRA1A
SCHEMBL6977033 0.81 KMT2A (0.38) RAB9AADRA1BADRA1AALDH1A1POLB
SCHEMBL6981559 0.81 ADRA1B (0.41) ADRA1BPOLBKMT2ATDP1
SCHEMBL6986602 0.80 KDM4E (0.41) SMN1; SMN2ALDH1A1POLBLMNAKMT2A
SCHEMBL4875098 0.80 CYP2D6 (0.36) SLC6A2SLC6A3RAB9AADRA1BADRA1A
SCHEMBL6978015 0.80 MEN1 (0.39) RAB9AADRA1BADRA1ASMN1; SMN2ALDH1A1
SCHEMBL6979847 0.80 ADRA1B (0.41) ADRA1BALDH1A1POLBLMNAKMT2A

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