SCHEMBL20815809

SCHEMBL20815809

CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NC1CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 7/20 0.74
CTSL P07711 4/20 0.58
PSMB5 P28074 4/20 0.56
CTSK P43235 2/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50
PSMB11 A5LHX3 2/20 0.49
PSMA7 O14818 2/20 0.49
PSMB1 P20618 2/20 0.49
PSMA1 P25786 2/20 0.49
PSMA2 P25787 2/20 0.49
PSMA3 P25788 2/20 0.49
PSMA4 P25789 2/20 0.49
PSMB8 P28062 2/20 0.49
PSMB9 P28065 2/20 0.49
PSMA5 P28066 2/20 0.49
PSMB4 P28070 2/20 0.49
PSMB6 P28072 2/20 0.49
PSMB10 P40306 2/20 0.49
PSMB3 P49720 2/20 0.49

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
SCHEMBL20815812 1.00 CAPN1 (0.74) CAPN1CTSLPSMB5CTSKCTSB
SCHEMBL20815816 0.95 CAPN1 (0.68) CAPN1CTSLPSMB5CTSKCTSB
SCHEMBL20815814 0.95 CAPN1 (0.68) CAPN1CTSLPSMB5CTSKCTSB
SCHEMBL21526183 0.92 CAPN1 (0.71) CAPN1CTSLPSMB5CTSKCTSS
SCHEMBL21526184 0.92 CAPN1 (0.71) CAPN1CTSLPSMB5CTSKCTSS
SCHEMBL365076 0.90 CAPN1 (0.75) CAPN1CTSLPSMB5CTSB
SCHEMBL19552326 0.90 CAPN1 (0.75) CAPN1CTSLPSMB5CTSB
SCHEMBL20815833 0.90 CAPN1 (0.67) CAPN1CTSLPSMB5PSMB11PSMA7
SCHEMBL20815830 0.90 CAPN1 (0.67) CAPN1CTSLPSMB5PSMB11PSMA7
SCHEMBL21554807 0.89 CAPN1 (0.68) CAPN1CTSLPSMB5CTSKCTSS

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
EP-3191112-B1 DIPEPTIDYL KETOAMIDE COMPOUNDS AND THEIR USE FOR THE TREATMENT AND/OR PREVENTION OF FAT ACCUMULATION LANDSTEINER GENMED S L (ES) 2019-03-20 EP disclosed