SCHEMBL6983534

SCHEMBL6983534

CCCN(CCCCc1ccc(C)c(OC)c1)CCCCN1CCCCC1=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
HCN4 Q9Y3Q4 1/20 0.44
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
POLB P06746 1/20 0.40
BCHE P06276 3/20 0.39
ACHE P22303 3/20 0.39
PGK1 P00558 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL12856209 0.84 POLB (0.50) MAPTHCN4CYP3A4ALOX15POLB
SCHEMBL6981825 0.81 KCNH2 (0.48) L3MBTL1
SCHEMBL4874251 0.81 SIGMAR1 (0.44) MAPTHCN4CYP3A4ALOX15POLB
SCHEMBL10847224 0.73 HCN4 (0.79) MAPTHCN4CYP3A4ALOX15DRD3
SCHEMBL5759813 0.72 PDE4B (0.55) MAPTHCN4CYP3A4ALOX15POLB
Hydrochloric Acid SCHEMBL11018724 0.72 CYP3A4 (0.79) MAPTHCN4CYP3A4ALOX15DRD3
SCHEMBL4874264 0.71 POLB (0.41) POLBPGK1L3MBTL1
SCHEMBL12856192 0.69 SIGMAR1 (0.56)
SCHEMBL15760679 0.69 TUBB4A (0.53) CYP3A4POLB
SCHEMBL12020315 0.68 SKP2 (0.53) CYP3A4

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