SCHEMBL7228656

SCHEMBL7228656

N=C(N)N1CCC(CCN2CC(COc3ccc(CC(N)C(=O)O)cc3)OC2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GRM2 Q14416 8/20 0.38
F2 P00734 2/20 0.37
PRSS1 P07477 1/20 0.37
F10 P00742 3/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
HTR2A P28223 2/20 0.35
PTPN1 P18031 1/20 0.35

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
SCHEMBL7236467 0.95 MAPK1 (0.46) MAPK1L3MBTL1GRM2F2PRSS1
SCHEMBL7228333 0.92 MAPK1 (0.41) MAPK1L3MBTL1GRM2F2PRSS1
SCHEMBL7228930 0.91 MAPK1 (0.42) MAPK1L3MBTL1GRM2F2PRSS1
SCHEMBL7238538 0.88 MAPK1 (0.45) MAPK1L3MBTL1GRM2ITGB3ITGA2B
SCHEMBL7231416 0.87 MAPK1 (0.48) MAPK1L3MBTL1GRM2ITGB3ITGA2B
SCHEMBL7228105 0.86 MAPK1 (0.44) MAPK1L3MBTL1GRM2F2PRSS1
SCHEMBL7229609 0.86 ITGB3 (0.44) MAPK1L3MBTL1GRM2ITGB3ITGA2B
SCHEMBL7228484 0.84 GRM2 (0.41) MAPK1L3MBTL1GRM2F2PRSS1
SCHEMBL7237473 0.83 MAPK1 (0.39) MAPK1L3MBTL1GRM2F2F10
SCHEMBL7228645 0.82 GRM2 (0.41) MAPK1L3MBTL1GRM2F2PRSS1

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