SCHEMBL7200643

SCHEMBL7200643

CCN(CCCCN1CCN(S(=O)(=O)CC(N)Cc2ccccc2)CC1=O)C(C)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
CCR5 P51681 7/20 0.32
KCNH2 Q12809 2/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
ACHE P22303 1/20 0.31
RORC P51449 2/20 0.31
SIGMAR1 Q99720 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 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
SCHEMBL7158804 0.90 CCR5 (0.30) CCR5LMNA
SCHEMBL4873613 0.86 LMNA (0.31) LMNA
SCHEMBL4871446 0.86 CCR5 (0.35) PKMALDH1A1GAACCR5KCNH2
SCHEMBL4874473 0.86 MAOB (0.34) ALDH1A1GAAACHERORCSIGMAR1
SCHEMBL7200638 0.86 TSHR (0.34) PKMALDH1A1GAACCR5KCNH2
SCHEMBL4875121 0.86 CYP2D6 (0.36) PKMALDH1A1GAACCR5KCNH2
SCHEMBL4874460 0.85 ACHE (0.33) PKMALDH1A1GAACCR5ACHE
SCHEMBL7089594 0.85
SCHEMBL7085856 0.85 ADAMTS5 (0.33) CCR5ADAMTS5
SCHEMBL4870439 0.84 LMNA (0.31) LMNA

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