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Sugi Predict / Compounds / SCHEMBL7230731

SCHEMBL7230731

SCHEMBL7230731

CC(C)(C)OC(=O)C(N)(Cc1ccc(OCC2CN(CC(C(=N)N)(C(=O)OC(C)(C)C)N3CCNCC3)C(=O)O2)cc1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GRM2 Q14416 8/20 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
SCHEMBL7230090 0.94 MAPK1 (0.38) MAPK1L3MBTL1GRM2
SCHEMBL7237901 0.94 MAPK1 (0.33) MAPK1L3MBTL1GRM2
SCHEMBL7237995 0.92 MAPK1 (0.40) MAPK1L3MBTL1GRM2
SCHEMBL7229320 0.87 MAPK1 (0.35) MAPK1L3MBTL1GRM2
SCHEMBL8548714 0.87 MAPK1 (0.37) MAPK1L3MBTL1GRM2
SCHEMBL7237723 0.86 GRM2 (0.36) MAPK1L3MBTL1GRM2
SCHEMBL7228013 0.86 MAPK1 (0.38) MAPK1L3MBTL1GRM2
SCHEMBL7227736 0.86 MAPK1 (0.41) MAPK1L3MBTL1GRM2
SCHEMBL8541097 0.84 MAPK1 (0.35) MAPK1L3MBTL1
SCHEMBL7229621 0.83 MAPK1 (0.38) MAPK1L3MBTL1GRM2

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