SCHEMBL7457368

SCHEMBL7457368

N=C(N)c1ccc(N2CC(C(=O)N3CCN(CCC(=O)OCc4ccccc4)CC3)OC2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.41
ITGA2B P08514 12/20 0.41
PRSS1 P07477 10/20 0.41
PRSS2 P07478 10/20 0.41
PRSS3 P35030 10/20 0.41
F10 P00742 8/20 0.41
TMEM97 Q5BJF2 4/20 0.40
SIGMAR1 Q99720 3/20 0.40
SLC6A2 P23975 2/20 0.40
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
CHRM1 P11229 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ENPP2 Q13822 1/20 0.39
F2 P00734 1/20 0.39
HPN P05981 1/20 0.39
HGFAC Q04756 1/20 0.39
ST14 Q9Y5Y6 1/20 0.39
HTR1A P08908 1/20 0.38
CHRM5 P08912 1/20 0.38

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
SCHEMBL8892077 0.92 ITGB3 (0.43) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7457521 0.86 ITGB3 (0.51) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8894267 0.84 PRSS1 (0.51) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8893028 0.83 ITGB3 (0.43) ITGB3ITGA2BTMEM97SIGMAR1HRH1
SCHEMBL7462601 0.82 PRSS1 (0.41) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7461428 0.81 ITGB3 (0.44) ITGB3ITGA2BF10TMEM97SIGMAR1
SCHEMBL8894919 0.81 ITGB3 (0.40) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7455413 0.80 SIGMAR1 (0.42) TMEM97SIGMAR1SLC6A2HRH2HRH1
SCHEMBL7460512 0.80 ITGB3 (0.48) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8891141 0.80 ITGB3 (0.40) ITGB3ITGA2BTMEM97SIGMAR1HRH1

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 3 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
US-5614535-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 US 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