SCHEMBL1694104

SCHEMBL1694104

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 16/20 0.49
▸ NPY1R P25929 10/20 0.49
▸ NPY5R Q15761 9/20 0.49
▸ NPY2R P49146 6/20 0.49
▸ PDF Q9HBH1 1/20 0.46
▸ SSTR3 P32745 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ MAPT P10636 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
SCHEMBL4799804 1.00 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RPDF
SCHEMBL1694377 1.00 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RPDF
Hydrochloric Acid SCHEMBL1259758 0.99 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RPDF
Hydrochloric Acid SCHEMBL6703991 0.99 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RPDF
SCHEMBL8089028 0.92 PDF (0.47) NPY4RNPY1RNPY5RNPY2RPDF
SCHEMBL11374268 0.88 PDF (0.49) NPY4RNPY1RNPY5RNPY2RPDF
SCHEMBL8723156 0.88 PDF (0.52) NPY4RNPY1RNPY5RNPY2RPDF
4-Nitroaniline SCHEMBL11127406 0.87 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2R
4-Nitroaniline SCHEMBL10711897 0.87 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2R
SCHEMBL5756647 0.87 PDF (0.45) NPY4RNPY1RNPY5RNPY2RPDF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2579890-A1 TREATMENT OF COAGULOPATHY WITH HYPERFIBRINOLYSIS Paion Deutschland GmbH (DE) 2013-04-17 — — EP disclosed
EP-2440237-A1 TREATMENT OF COAGULOPATHY WITH HYPERFIBRINOLYSIS PAION Deutschland GmbH (DE) 2012-04-18 — — EP disclosed
WO-2011157283-A1 TREATMENT OF COAGULOPATHY WITH HYPERFIBRINOLYSIS PAION DEUTSCHLAND GMBH (DE) 2011-12-22 — — WO disclosed
WO-2010142309-A1 TREATMENT OF COAGULOPATHY WITH HYPERFIBRINOLYSIS PAION DEUTSCHLAND GMBH (DE) 2010-12-16 — — WO disclosed
WO-2010142461-A2 TREATMENT OF COAGULOPATHY WITH HYPERFIBRINOLYSIS PAION DEUTSCHLAND GMBH (DE) 2010-12-16 — — WO disclosed
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