SCHEMBL24864665

SCHEMBL24864665

CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 9/20 0.44
NPY1R P25929 5/20 0.44
NPY2R P49146 4/20 0.44
NPY5R Q15761 4/20 0.44
FURIN P09958 5/20 0.42
LTA4H P09960 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
KLKB1 P03952 1/20 0.39
PDF Q9HBH1 1/20 0.39
NMT2 O60551 1/20 0.38
NMT1 P30419 1/20 0.38

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
SCHEMBL24864480 0.99 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RFURIN
SCHEMBL24864584 0.92 FURIN (0.43) FURINKLKB1PDFNMT2NMT1
SCHEMBL20435138 0.92 FURIN (0.45) FURINKLKB1PDF
SCHEMBL29342070 0.91 FURIN (0.42) FURINKLKB1PDFNMT2NMT1
SCHEMBL29345943 0.91 FURIN (0.42) FURINKLKB1PDFNMT2NMT1
SCHEMBL24864664 0.90 NPY4R (0.54) NPY4RNPY1RNPY2RNPY5R
SCHEMBL29339858 0.90 FURIN (0.43) NPY4RNPY1RNPY2RNPY5RFURIN
SCHEMBL29342071 0.89 FURIN (0.43) FURIN
SCHEMBL15692124 0.88 NMT2 (0.45) NPY4RNPY1RNPY2RNPY5RFURIN
SCHEMBL24864481 0.88 FURIN (0.43) FURIN

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
WO-2024151890-A1 LINKERS, DRUG LINKERS AND CONJUGATES THEREOF AND METHODS OF USING THE SAME PROFOUNDBIO US CO. (US) 2024-07-18 WO disclosed
WO-2023280227-A2 LINKERS, DRUG LINKERS AND CONJUGATES THEREOF AND METHODS OF USING THE SAME PROFOUNDBIO US CO. (US) 2023-01-12 WO disclosed