SCHEMBL7517993

SCHEMBL7517993

N#Cc1ccc(N2CC(C(=O)N3CCC(OC(=O)OCc4ccccc4)CC3)OC2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
GRM2 Q14416 4/20 0.38
HSD11B1 P28845 1/20 0.37
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
PGGT1B P53609 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL8890920 0.88 L3MBTL1 (0.49) L3MBTL1GRM2HSD11B1FNTAFNTB
SCHEMBL7462601 0.85 PRSS1 (0.41) GRM2NPC1RAB9ASMN1; SMN2
SCHEMBL7466571 0.85 SMN1; SMN2 (0.38) GRM2NPC1RAB9ASMN1; SMN2CTSL
SCHEMBL8451456 0.84 SIGMAR1 (0.44) L3MBTL1GRM2HRH3
SCHEMBL8457744 0.84 SIGMAR1 (0.44) L3MBTL1GRM2HRH3
SCHEMBL8452739 0.84 SIGMAR1 (0.44) L3MBTL1GRM2HRH3
SCHEMBL8891751 0.83 FNTA (0.45) L3MBTL1GRM2FNTAFNTBPGGT1B
SCHEMBL7462288 0.81 LMNA (0.40)
SCHEMBL8450620 0.79 GRM2 (0.42) L3MBTL1GRM2FNTAFNTBPGGT1B
SCHEMBL8458262 0.76 GRM2 (0.42) L3MBTL1GRM2

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-0697408-B1 1 substituted-phenyl-oxazolidene-2-one derivatives and their use as adhesion-receptor antagonists MERCK PATENT GMBH (DE) 2002-01-23 EP disclosed
EP-0697408-A1 1 substituted-phenyl-oxazolidene-2-one derivatives and their use as adhesion-receptor antagonists MERCK PATENT GmbH (DE) 1996-02-21 EP disclosed