SCHEMBL11374268

SCHEMBL11374268

C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDF Q9HBH1 1/20 0.49
▸ SSTR3 P32745 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ LMNA P02545 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ GLA P06280 2/20 0.42
▸ NPY4R P50391 7/20 0.41
▸ NPY1R P25929 5/20 0.41
▸ NPY2R P49146 3/20 0.41
▸ NPY5R Q15761 3/20 0.41
▸ SPHK1 Q9NYA1 4/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ POLB P06746 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
SCHEMBL29388213 0.92 PDF (0.44) PDFSSTR3ALDH1A1LMNAKMT2A
SCHEMBL8723156 0.92 PDF (0.52) PDFSSTR3ALDH1A1LMNAKMT2A
SCHEMBL30931251 0.92 PDF (0.44) PDFSSTR3ALDH1A1LMNAKMT2A
SCHEMBL8089028 0.89 PDF (0.47) PDFSSTR3ALDH1A1LMNAKMT2A
SCHEMBL1694377 0.88 NPY4R (0.49) PDFSSTR3ALDH1A1LMNAKMT2A
SCHEMBL4799804 0.88 NPY4R (0.49) PDFSSTR3ALDH1A1LMNAKMT2A
SCHEMBL1694104 0.88 NPY4R (0.49) PDFSSTR3ALDH1A1LMNAKMT2A
SCHEMBL16446037 0.88 PDF (0.50) PDFSSTR3ALDH1A1LMNAKMT2A
Hydrochloric Acid SCHEMBL6703991 0.87 NPY4R (0.49) PDFSSTR3ALDH1A1LMNAKMT2A
Hydrochloric Acid SCHEMBL1259758 0.87 NPY4R (0.49) PDFSSTR3ALDH1A1LMNAKMT2A

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-4291648-A1 HYBRID AMEBOCYTE LYSATE AND USES THEREOF Charles River Laboratories, Inc. (US) 2023-12-20 — — EP disclosed
WO-2022174082-A1 HYBRID AMEBOCYTE LYSATE AND USES THEREOF CHARLES RIVER LABORATORIES, INC. (US) 2022-08-18 — — WO disclosed
US-4257939-A SUBSTRATES FOR DETERMINING ENZYME ACTIVITY AJINOMOTO CO., INC. (JP) 1981-03-24 — — US disclosed
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