SCHEMBL8741237

SCHEMBL8741237

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GNPAT O15228 1/20 0.50
▸ NOD1 Q9Y239 7/20 0.45
▸ C3AR1 Q16581 2/20 0.43
▸ EPHX2 P34913 1/20 0.41
▸ NPY4R P50391 2/20 0.41
▸ NPY1R P25929 1/20 0.41
▸ NPY2R P49146 1/20 0.41
▸ NPY5R Q15761 1/20 0.41
▸ FOLH1 Q04609 2/20 0.40
▸ FNTA P49354 2/20 0.40
▸ FNTB P49356 2/20 0.40
▸ PGGT1B P53609 1/20 0.40

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
SCHEMBL12028772 0.91 GNPAT (0.61) GNPATNOD1C3AR1EPHX2NPY4R
SCHEMBL17304353 0.91 GNPAT (0.61) GNPATNOD1C3AR1EPHX2NPY4R
SCHEMBL31503042 0.90 GNPAT (0.60) GNPATNOD1C3AR1EPHX2NPY4R
SCHEMBL19499056 0.89 GNPAT (0.48) GNPATNOD1C3AR1EPHX2NPY4R
SCHEMBL19499059 0.89 GNPAT (0.48) GNPATNOD1C3AR1EPHX2NPY4R
SCHEMBL6794052 0.88 GNPAT (0.47) GNPATNOD1C3AR1EPHX2NPY4R
SCHEMBL483091 0.88 GNPAT (0.47) GNPATNOD1C3AR1EPHX2NPY4R
Hydrochloric Acid SCHEMBL15939612 0.87 GNPAT (0.46) GNPATNOD1C3AR1EPHX2NPY4R
SCHEMBL17304356 0.87 GNPAT (0.52) GNPATNOD1EPHX2NPY4RNPY1R
SCHEMBL1115964 0.87 NOD1 (0.53) GNPATNOD1C3AR1EPHX2NPY4R

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-0724387-A4 TREATMENT OF CHRONIC ANTI-INFLAMMATORY DISEASES BY ANGIOTENSION II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1997-06-18 — — EP disclosed
EP-0724387-A1 TREATMENT OF CHRONIC ANTI-INFLAMMATORY DISEASES BY ANGIOTENSION II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-08-07 — — EP disclosed
WO-1995006410-A1 TREATMENT OF CHRONIC INFLAMMATORY DISEASES BY ANGIOTENSION II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-03-09 — — WO disclosed
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