SCHEMBL7520181

SCHEMBL7520181

N#Cc1ccc(N2CC(OC(=O)Cl)OC2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.48
AR P10275 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
FADS1 O60427 2/20 0.37
ALDH1A1 P00352 1/20 0.36
HTR3A P46098 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
SCHEMBL8892005 0.80 GRM2 (0.51) GRM2ARHDAC1HDAC8HDAC6
SCHEMBL27460280 0.79 GRM2 (0.50) GRM2FADS1
SCHEMBL7460584 0.76 GRM2 (0.52) GRM2HDAC1HDAC8HDAC6FADS1
SCHEMBL2798690 0.76 GRM2 (0.52) GRM2HDAC1HDAC8HDAC6FADS1
SCHEMBL7584426 0.76 EPHX2 (0.47) GRM2HDAC1ALDH1A1
SCHEMBL7529594 0.74 BACE1 (0.45) GRM2
SCHEMBL8948639 0.73 GRM2 (0.65) GRM2
SCHEMBL8948817 0.73 GRM2 (0.65) GRM2
SCHEMBL7237979 0.73 GRM2 (0.65) GRM2
SCHEMBL9846424 0.71 GRM2 (0.50) GRM2FADS1

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