SCHEMBL7083990

SCHEMBL7083990

CCCN(CCCCN1CCN(C(=O)O)CCC1=O)C(C)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 1/20 0.33
RORC P51449 1/20 0.33
PLA2G2A P14555 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PTGS2 P35354 1/20 0.32
LMNA P02545 2/20 0.32
PTGS1 P23219 1/20 0.32
CCR5 P51681 3/20 0.32
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
MCHR1 Q99705 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4875247 0.94 CYP3A4 (0.34) ADAMTS5ALDH1A1LMNACCR5
SCHEMBL4875582 0.93 CCR5 (0.36) ADAMTS5RORCPLA2G2AALDH1A1PTGS2
SCHEMBL4875551 0.91 CHRM2 (0.36) ALDH1A1LMNASMN1; SMN2
SCHEMBL4876417 0.91 GPR119 (0.39) LMNASMN1; SMN2
SCHEMBL4865388 0.89 NPY2R (0.39) ADAMTS5RORC
SCHEMBL4874459 0.89 HRH2 (0.33) ADAMTS5PLA2G2AALDH1A1PTGS2SIRT2
SCHEMBL4873761 0.89 RORC (0.34) ADAMTS5RORCPLA2G2AALDH1A1PTGS2
SCHEMBL4872361 0.89 GPR119 (0.33) LMNASMN1; SMN2
SCHEMBL4870274 0.88 GPR119 (0.36) PLA2G2ALMNASMN1; SMN2
SCHEMBL4870335 0.88 GPR119 (0.36) 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