SCHEMBL9614819

SCHEMBL9614819

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNCC(N)CCCNC(=N)N)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 10/20 0.37
NPY5R Q15761 8/20 0.37
NPY1R P25929 7/20 0.37
NPY2R P49146 5/20 0.37
IL23R Q5VWK5 2/20 0.36
KEAP1 Q14145 2/20 0.36
ENPEP Q07075 5/20 0.34

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
Trifluoroacetic Acid SCHEMBL7318510 0.95 NPY4R (0.42) NPY4RNPY5RNPY1RNPY2RIL23R
SCHEMBL29598552 0.86 NPY4R (0.41) NPY4RNPY5RNPY1RNPY2RKEAP1
SCHEMBL29536042 0.84 GNPAT (0.44) NPY4RNPY5RNPY1RNPY2RIL23R
SCHEMBL29375093 0.84 TFPI (0.40) NPY4RNPY5RNPY1RNPY2RIL23R
SCHEMBL31410686 0.83 KEAP1 (0.41) NPY4RNPY5RNPY1RNPY2RIL23R
SCHEMBL30070766 0.83 KEAP1 (0.37) NPY4RNPY5RNPY1RNPY2RIL23R
SCHEMBL31410682 0.82 NPY4R (0.46) NPY4RNPY5RNPY1RNPY2RKEAP1
SCHEMBL30297059 0.82 IL23R (0.42) NPY4RNPY5RNPY1RNPY2RIL23R
SCHEMBL7306013 0.82 NPY4R (0.46) NPY4RNPY5RNPY1RNPY2RENPEP
SCHEMBL30797917 0.82 NPY4R (0.46) NPY4RNPY5RNPY1RNPY2RENPEP

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-0494248-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES 1992-08-26 EP claimed
EP-0494248-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-07-15 EP claimed
WO-1991004746-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-04-18 WO claimed