SCHEMBL7158804

SCHEMBL7158804

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

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7089594 0.95
SCHEMBL7200643 0.90 PKM (0.33) CCR5LMNA
SCHEMBL4873613 0.88 LMNA (0.31) LMNASMN1; SMN2
SCHEMBL4875121 0.88 CYP2D6 (0.36) CCR5LMNASMN1; SMN2
SCHEMBL4870208 0.86 ACHE (0.31) LMNASMN1; SMN2
SCHEMBL4870439 0.86 LMNA (0.31) LMNASMN1; SMN2
SCHEMBL7158802 0.85 LMNA (0.30) LMNASMN1; SMN2
SCHEMBL4874224 0.85 LMNA (0.30) LMNASMN1; SMN2
SCHEMBL4874284 0.85 CCR2 (0.33) CCR5
SCHEMBL4873767 0.84 NMT1 (0.33) CCR5SMN1; SMN2

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