SCHEMBL7759040

SCHEMBL7759040

NCCCC[C@H](NC(=O)C1OC1C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 2/20 0.46
ERAP2 Q6P179 1/20 0.46
LNPEP Q9UIQ6 1/20 0.46
ITGB3 P05106 3/20 0.45
ITGA2B P08514 3/20 0.45
GNPAT O15228 1/20 0.45
ECE1 P42892 1/20 0.44
NAALAD2 Q9Y3Q0 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7759027 0.88 CPB2 (0.50) CPB2ERAP2LNPEPGNPAT
SCHEMBL7759035 0.87 MC4R (0.44)
SCHEMBL7761873 0.87 GNPAT (0.52) CPB2ERAP2LNPEPGNPATECE1
SCHEMBL7763541 0.87 MMP9 (0.49) CPB2ERAP2LNPEPITGB3ITGA2B
SCHEMBL7762775 0.87 CPB2 (0.49) CPB2ERAP2LNPEPGNPATECE1
Hydrochloric Acid SCHEMBL7763498 0.87 MC4R (0.43)
SCHEMBL7758999 0.85 CALCRL (0.54) CPB2GNPATKMT2A
SCHEMBL7765715 0.84 TLR2 (0.54) CPB2GNPAT
Aniline SCHEMBL7761901 0.84 CPB2 (0.47) CPB2ERAP2LNPEPGNPAT
SCHEMBL7765736 0.83 CAPN1 (0.52)

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-0808839-B1 EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF, AND DRUGS CONTAINING THE SAME TAIHO PHARMACEUTICAL CO LTD (JP) 2001-05-23 EP disclosed
EP-0808839-A1 EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF, AND DRUGS CONTAINING THE SAME TAIHO PHARMACEUTICAL CO., LTD. (JP) 1997-11-26 EP disclosed