SCHEMBL7322622

SCHEMBL7322622

CC(C)(C)OC(=O)NC1CCCCNCCCCCNC1=O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 14/20 0.60
CCR1 P32246 1/20 0.52
CCR5 P51681 1/20 0.52
CXCR4 P61073 1/20 0.52
MMP1 P03956 2/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.48

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
SCHEMBL7320505 1.00 CCR2 (0.60) CCR2CCR1CCR5CXCR4MMP1
SCHEMBL7322614 1.00 CCR2 (0.60) CCR2CCR1CCR5CXCR4MMP1
SCHEMBL7320500 1.00 CCR2 (0.60) CCR2CCR1CCR5CXCR4MMP1
SCHEMBL7327118 0.97 CCR2 (0.57) CCR2CCR1CCR5CXCR4MMP1
SCHEMBL7327122 0.97 CCR2 (0.57) CCR2CCR1CCR5CXCR4MMP1
SCHEMBL2329779 0.95 CCR2 (0.67) CCR2CCR1CCR5CXCR4GAA
SCHEMBL4704983 0.95 CCR2 (0.67) CCR2CCR1CCR5CXCR4GAA
SCHEMBL2462379 0.95 CCR2 (0.67) CCR2CCR1CCR5CXCR4GAA
Acetic Acid SCHEMBL8778037 0.91 CCR2 (0.62) CCR2CCR1CCR5CXCR4GAA
SCHEMBL203905 0.90 CCR2 (0.60) CCR2CCR1CCR5CXCR4GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0552264-A1 N-(2-ALKYL-3-MERCAPTOGLUTARYL)-AMINO-DIAZA CYCLOALKANONE DERIVATIVES AND THEIR USE AS COLLAGENASE INHIBITORS BEECHAM GROUP plc (GB) 1993-07-28 EP disclosed
EP-0527761-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY Beecham Group p.l.c. (GB) 1993-02-24 EP disclosed
WO-1992006966-A1 N-(2-ALKYL-3-MERCAPTOGLUTARYL)-AMINO-DIAZA CYCLOALKANONE DERIVATIVES AND THEIR USE AS COLLAGENASE INHIBITORS BEECHAM GROUP PLC (GB) 1992-04-30 WO disclosed
WO-1991015506-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY BEECHAM GROUP PLC (GB) 1991-10-17 WO disclosed