SCHEMBL7897054

SCHEMBL7897054

N=C(N)NCCC[C@H](NC(=O)CNC(=O)C1CCCCC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.44
▸ PSMB5 P28074 2/20 0.43
▸ GRIN1 Q05586 2/20 0.40
▸ GRIN2A Q12879 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ NAAA Q02083 1/20 0.39
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ C3AR1 Q16581 1/20 0.37
▸ FOLH1 Q04609 1/20 0.37
▸ CHRNB2 P17787 3/20 0.36
▸ CHRNB4 P30926 3/20 0.36
▸ CHRNA3 P32297 3/20 0.36
▸ CHRNA4 P43681 3/20 0.36
▸ GRM1 Q13255 1/20 0.36
▸ CPB2 Q96IY4 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
SCHEMBL17104387 0.89 GRIN1 (0.45) EPHX2GRIN1GRIN2ASMN1; SMN2NAAA
SCHEMBL6562711 0.89 GRIN1 (0.45) EPHX2GRIN1GRIN2ASMN1; SMN2NAAA
SCHEMBL6561158 0.88 GRIN1 (0.44) EPHX2GRIN1GRIN2ASMN1; SMN2CHRNB2
SCHEMBL29689742 0.82 PRCP (0.44) EPHX2C3AR1
SCHEMBL10277291 0.82 EPHX2 (0.47) EPHX2GRIN1GRIN2ASMN1; SMN2C3AR1
SCHEMBL10277311 0.81 EPHX2 (0.45) EPHX2GRIN1GRIN2ASMN1; SMN2C3AR1
SCHEMBL7898530 0.79 NPY4R (0.47) PSMB5SMN1; SMN2CPB2
SCHEMBL1886040 0.79 FOLH1 (0.47) SMN1; SMN2C3AR1FOLH1
SCHEMBL6562366 0.79 GRIN1 (0.47) EPHX2GRIN1GRIN2ASMN1; SMN2NAAA
SCHEMBL15757149 0.79 C3AR1 (0.42) EPHX2C3AR1FOLH1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6180140-B1 SUITABLE FOR ORAL ADMINISTRATION OF BIOLOGICALLY ACTIVE AGENTS TO ANIMALS EMISPHERE TECHNOLOGIES, INC. 2001-01-30 — — US disclosed
US-5935601-A Modified amino acids for drug delivery EMISPHERE TECHNOLOGIES, INC. (US) 1999-08-10 — — US disclosed
EP-0758843-A4 MODIFIED AMINO ACIDS FOR DRUG DELIVERY EMISPHERE TECH INC (US) 1998-05-20 — — EP disclosed
US-5709861-A PEPTIDES WITH ANTIGENS AND PROCESS FOR MIXING EMISPHERE TECHNOLOGIES, INC. (US) 1998-01-20 — — US disclosed
US-5629020-A Modified amino acids for drug delivery EMISPHERE TECHNOLOGIES, INC. (US) 1997-05-13 — — US disclosed
EP-0758843-A1 MODIFIED AMINO ACIDS FOR DRUG DELIVERY Emisphere Technologies, Inc. (US) 1997-02-26 — — EP disclosed
WO-1996021464-A9 COMPOSITIONS FOR THE DELIVERY OF ANTIGENS — 1996-11-14 — — WO disclosed
WO-1995028838-A1 MODIFIED AMINO ACIDS FOR DRUG DELIVERY EMISPHERE TECHNOLOGIES, INC. (US) 1995-11-02 — — WO disclosed
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