SCHEMBL7228930

SCHEMBL7228930

COC(=O)C(N)Cc1ccc(OCC2CN(CCC3CCN(C(=N)N)CC3)C(=O)O2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TPSAB1 Q15661 2/20 0.38
TPSD1 Q9BZJ3 2/20 0.38
TPSG1 Q9NRR2 2/20 0.38
IL2RA P01589 1/20 0.37
ALB P02768 1/20 0.37
IL2 P60568 1/20 0.37
F10 P00742 4/20 0.37
GRM2 Q14416 3/20 0.37
YAP1 P46937 5/20 0.36
F2 P00734 2/20 0.34
ACACB O00763 1/20 0.34
PRSS1 P07477 1/20 0.34

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
SCHEMBL7228105 0.95 MAPK1 (0.44) MAPK1L3MBTL1TPSAB1TPSD1TPSG1
SCHEMBL7237473 0.92 MAPK1 (0.39) MAPK1L3MBTL1TPSAB1TPSD1TPSG1
SCHEMBL7228656 0.91 MAPK1 (0.43) MAPK1L3MBTL1TPSAB1TPSD1TPSG1
SCHEMBL7227418 0.89 MAPK1 (0.43) MAPK1L3MBTL1IL2RAALBIL2
SCHEMBL7241299 0.87 MAPK1 (0.46) MAPK1L3MBTL1GRM2
SCHEMBL7228965 0.87 ITGB3 (0.43) MAPK1L3MBTL1GRM2
SCHEMBL7236467 0.86 MAPK1 (0.46) MAPK1L3MBTL1TPSAB1TPSD1TPSG1
SCHEMBL7229801 0.85 GRM2 (0.39) MAPK1L3MBTL1TPSAB1TPSD1TPSG1
SCHEMBL7228923 0.84 GRM2 (0.38) MAPK1L3MBTL1IL2RAALBIL2
SCHEMBL7237796 0.83 MAPK1 (0.41) MAPK1L3MBTL1GRM2YAP1ACACB

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
US-6602876-B1 Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2003-08-05 US disclosed
US-6204280-B1 OXAZOLIDINONE DERIVATIVE, ANTICOAGULANT MERCK PATENT GESELLSCHAFT MIT BERSCHRANKTER HAFTUNG (DE) 2001-03-20 US disclosed
EP-0710657-B1 Antagonists of adhesion receptors MERCK PATENT GMBH (DE) 1998-08-26 EP disclosed
EP-0710657-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-08 EP disclosed