SCHEMBL8089028

SCHEMBL8089028

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDF Q9HBH1 1/20 0.47
▸ SSTR3 P32745 1/20 0.42
▸ NPY4R P50391 13/20 0.41
▸ NPY1R P25929 9/20 0.41
▸ NPY5R Q15761 8/20 0.41
▸ NPY2R P49146 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ GLA P06280 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL1694377 0.92 NPY4R (0.49) PDFSSTR3NPY4RNPY1RNPY5R
SCHEMBL1694104 0.92 NPY4R (0.49) PDFSSTR3NPY4RNPY1RNPY5R
SCHEMBL4799804 0.92 NPY4R (0.49) PDFSSTR3NPY4RNPY1RNPY5R
Hydrochloric Acid SCHEMBL1259758 0.91 NPY4R (0.49) PDFSSTR3NPY4RNPY1RNPY5R
Hydrochloric Acid SCHEMBL6703991 0.91 NPY4R (0.49) PDFSSTR3NPY4RNPY1RNPY5R
SCHEMBL29699868 0.90 PDF (0.47) PDFSSTR3NPY4RNPY1RNPY5R
SCHEMBL11374268 0.89 PDF (0.49) PDFSSTR3NPY4RNPY1RNPY5R
SCHEMBL8723156 0.89 PDF (0.52) PDFSSTR3NPY4RNPY1RNPY5R
SCHEMBL5756647 0.88 PDF (0.45) PDFSSTR3NPY4RNPY1RNPY5R
SCHEMBL8722659 0.87 PDF (0.48) PDFSSTR3NPY4RNPY1RNPY5R

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-1045862-A1 POLYPEPTIDES, DNA CODING THEREFOR, FORMULATIONS THEREOF, AND THEIR USE IN INHIBITING FACTOR XII ACTIVATION Bio-Discovery Limited (GB) 2000-10-25 — — EP disclosed
WO-1999036439-A1 POLYPEPTIDES, DNA CODING THEREFOR, FORMULATIONS THEREOF, AND THEIR USE IN INHIBITING FACTOR XII ACTIVATION BIO-DISCOVERY LIMITED (GB) 1999-07-22 — — WO disclosed
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