SCHEMBL6982001

SCHEMBL6982001

CCCN(CCCCN1CCCN(C(=O)O)CC1=O)[C@@H](C)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 1/20 0.34
PTGS2 P35354 1/20 0.33
PTGS1 P23219 1/20 0.33
CCR2 P41597 5/20 0.33
PLA2G2A P14555 2/20 0.32
HRH3 Q9Y5N1 1/20 0.31
CCR5 P51681 4/20 0.31
RORC P51449 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL4872685 0.93 PTGS2 (0.33) ADAMTS5PTGS2PTGS1CCR2PLA2G2A
SCHEMBL4874189 0.92 PTGS2 (0.33) ADAMTS5PTGS2PTGS1CCR2PLA2G2A
SCHEMBL4866765 0.91 LMNA (0.38) ADAMTS5CCR2PLA2G2AHRH3ALDH1A1
SCHEMBL4875402 0.91 PLA2G2A (0.32) ADAMTS5PTGS2PTGS1CCR2PLA2G2A
SCHEMBL4875263 0.91 PLA2G2A (0.34) ADAMTS5PTGS2CCR2PLA2G2AHRH3
SCHEMBL4866661 0.91 GPR119 (0.33) ADAMTS5PTGS2CCR2PLA2G2AHRH3
SCHEMBL4870404 0.91 EPHX2 (0.34) ADAMTS5PTGS2CCR2PLA2G2AHRH3
SCHEMBL4869982 0.90 ADAMTS5 (0.37) ADAMTS5CCR2HRH3CCR5RORC
SCHEMBL4876934 0.90 PLA2G2A (0.32) ADAMTS5PTGS2CCR2PLA2G2ARORC
SCHEMBL4870412 0.89 NPSR1 (0.35) ADAMTS5PTGS2ALDH1A1CA12CA9

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