SCHEMBL11361946

SCHEMBL11361946

N=C(N)NCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 1/20 0.51
▸ MMP2 P08253 1/20 0.44
▸ NPY4R P50391 9/20 0.44
▸ NPY1R P25929 6/20 0.44
▸ NPY2R P49146 4/20 0.44
▸ NPY5R Q15761 4/20 0.44
▸ PDF Q9HBH1 1/20 0.42
▸ KISS1R Q969F8 5/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3688868 0.96 SSTR3 (0.52) SSTR3MMP2NPY4RNPY1RNPY2R
Hydrochloric Acid SCHEMBL31023226 0.95 SSTR3 (0.51) SSTR3MMP2NPY4RNPY1RNPY2R
Hydrochloric Acid SCHEMBL6383627 0.95 SSTR3 (0.51) SSTR3MMP2NPY4RNPY1RNPY2R
SCHEMBL29700074 0.93 NPY4R (0.53) MMP2NPY4RNPY1RNPY2RNPY5R
SCHEMBL29699868 0.90 PDF (0.47) SSTR3MMP2NPY4RNPY1RNPY2R
SCHEMBL8128688 0.90 SSTR3 (0.49) SSTR3MMP2NPY4RNPY1RNPY2R
SCHEMBL30073980 0.88 SSTR3 (0.47) SSTR3MMP2PDFMEN1ALDH1A1
SCHEMBL8722659 0.88 PDF (0.48) SSTR3NPY4RNPY1RNPY2RNPY5R
SCHEMBL16446037 0.86 PDF (0.50) SSTR3MMP2NPY4RNPY1RNPY2R
SCHEMBL8089028 0.84 PDF (0.47) SSTR3NPY4RNPY1RNPY2RNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4257939-A SUBSTRATES FOR DETERMINING ENZYME ACTIVITY AJINOMOTO CO., INC. (JP) 1981-03-24 — — US disclosed
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