SCHEMBL9326037

SCHEMBL9326037

CC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 16/20 0.62
▸ NPY5R Q15761 10/20 0.62
▸ NPY1R P25929 10/20 0.62
▸ NPY2R P49146 7/20 0.62
▸ TFPI P10646 1/20 0.54
▸ IL23R Q5VWK5 2/20 0.54

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
SCHEMBL21099141 0.89 NPY4R (0.65) NPY4RNPY5RNPY1RNPY2R
SCHEMBL28347869 0.89 NPY4R (0.56) NPY4RNPY5RNPY1RNPY2R
SCHEMBL22076665 0.89 NPY4R (0.56) NPY4RNPY5RNPY1RNPY2R
SCHEMBL29536100 0.88 GNPAT (0.52) NPY4RNPY5RNPY1RNPY2RTFPI
SCHEMBL9439867 0.88 IL23R (0.57) NPY4RNPY5RNPY1RNPY2RTFPI
SCHEMBL16507881 0.88 NPY4R (0.66) NPY4RNPY5RNPY1RNPY2R
SCHEMBL12792696 0.87 NPY4R (0.73) NPY4RNPY5RNPY1RNPY2R
SCHEMBL13563464 0.87 NPY4R (0.73) NPY4RNPY5RNPY1RNPY2R
SCHEMBL2790810 0.87 NPY4R (0.54) NPY4RNPY5RNPY1RNPY2R
SCHEMBL2790809 0.87 NPY4R (0.54) NPY4RNPY5RNPY1RNPY2R

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-0319506-B1 Novel platelet-aggregation inhibitor peptide derivatives MONSANTO CO (US) 1994-03-09 — — EP claimed
US-4857508-A Novel platelet-aggregation inhibitor peptide derivatives MONSANTO COMPANY (US) 1989-08-15 — — US claimed
EP-0319506-A2 Novel platelet-aggregation inhibitor peptide derivatives Monsanto Company (US) 1989-06-07 — — EP claimed
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