SCHEMBL21392371

SCHEMBL21392371

CC(=O)NCC(=O)NC(CCC(=O)NCCC(C)NC(=O)[C@H](CCCNC(=N)N)NC=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.44
▸ IL23R Q5VWK5 7/20 0.42
▸ NPBWR1 P48145 1/20 0.42
▸ NPY4R P50391 5/20 0.41
▸ NPY1R P25929 4/20 0.41
▸ NPY2R P49146 4/20 0.41
▸ NPY5R Q15761 4/20 0.41
▸ OPRL1 P41146 2/20 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
SCHEMBL18716899 0.86 NPY5R (0.44) TFPIIL23RNPBWR1NPY4RNPY1R
SCHEMBL24488464 0.84 NPY4R (0.49) NPY4RNPY1RNPY2RNPY5R
SCHEMBL19473782 0.78 FURIN (0.47) TFPIIL23RNPBWR1OPRL1
SCHEMBL18717030 0.76 TFPI (0.52) TFPIIL23RNPY4RNPY1RNPY2R
SCHEMBL2552629 0.76 GNPAT (0.52) NPY4RNPY1RNPY2RNPY5R
SCHEMBL12285427 0.76 GNPAT (0.52) NPY4RNPY1RNPY2RNPY5R
SCHEMBL18717071 0.76 TFPI (0.44) TFPIIL23RNPY4RNPY1RNPY2R
SCHEMBL31298941 0.75 QRFPR (0.55) TFPINPBWR1NPY4RNPY1RNPY2R
SCHEMBL29569091 0.75 ERAP2 (0.51) NPY4RNPY1RNPY2RNPY5ROPRL1
SCHEMBL29568713 0.75 ERAP2 (0.51) NPY4RNPY1RNPY2RNPY5ROPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019183472-A1 MELANOCORTIN RECEPTOR-SPECIFIC PEPTIDE FORMULATIONS AND METHODS FOR GASTROINTESTINAL TRACT-SPECIFIC DELIVERY PALATIN TECHNOLOGIES, INC. (US) 2019-09-26 — — WO disclosed
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