SCHEMBL6171303

SCHEMBL6171303

CCCN(CCCCN1CCN(C)CC1=O)[C@@H](C)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.35
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
PLA2G2A P14555 1/20 0.31
PTGS1 P23219 1/20 0.31
KCNJ1 P48048 1/20 0.30
KCNH2 Q12809 1/20 0.30
CCR2 P41597 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
DRD3 P35462 1/20 0.30
NMT1 P30419 1/20 0.30

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
SCHEMBL4875996 1.00 PTGS2 (0.35) PTGS2PRMT5WDR77SIRT2HTR2A
SCHEMBL4863663 0.94 PTGS2 (0.34) PTGS2PRMT5WDR77SIRT2HTR2A
SCHEMBL14194496 0.94 PTGS2 (0.34) PTGS2PRMT5WDR77SIRT2HTR2A
SCHEMBL4874227 0.91 NPC1 (0.34) PTGS2PRMT5WDR77SIRT2HTR2A
SCHEMBL4876330 0.87 POLB (0.37) PTGS2
SCHEMBL4870420 0.87 PTGS2 (0.33) PTGS2CCR2
SCHEMBL4866722 0.86 POLB (0.36)
SCHEMBL4870396 0.85 SIRT2 (0.33) PTGS2SIRT2CCR2
SCHEMBL4872685 0.85 PTGS2 (0.33) PTGS2PLA2G2APTGS1CCR2
SCHEMBL6982001 0.85 ADAMTS5 (0.34) PTGS2PLA2G2APTGS1CCR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289965-B1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-10-26 EP claimed
EP-1289965-A1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-03-12 EP claimed
WO-2001090081-A1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-29 WO claimed
EP-1289965-B1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-10-26 EP disclosed
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