SCHEMBL10774232

SCHEMBL10774232

CN(CC(=O)O)C(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.54
CTSL P07711 3/20 0.53
POLB P06746 4/20 0.52
GFER P55789 1/20 0.51
CTSB P07858 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
GAA P10253 1/20 0.48
PSMB11 A5LHX3 1/20 0.48
PSMA7 O14818 1/20 0.48
PSMB1 P20618 1/20 0.48
PSMA1 P25786 1/20 0.48
PSMA2 P25787 1/20 0.48
PSMA3 P25788 1/20 0.48
PSMA4 P25789 1/20 0.48
PSMB8 P28062 1/20 0.48
PSMB9 P28065 1/20 0.48
PSMA5 P28066 1/20 0.48

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
SCHEMBL23489726 0.82 CTSL (0.62) CTSSCTSLPOLBGFERCTSB
SCHEMBL7275964 0.82 POLB (0.74) CTSSCTSLPOLBGFERCTSB
SCHEMBL5193787 0.82 POLB (0.74) CTSSCTSLPOLBGFERCTSB
SCHEMBL7268468 0.80 POLB (0.76) CTSSCTSLPOLBGFERCTSB
SCHEMBL7268474 0.80 POLB (0.76) CTSSCTSLPOLBGFERCTSB
SCHEMBL25004070 0.80 CTSS (0.61) CTSSCTSLPOLBGFERCTSB
SCHEMBL7408631 0.80 CTSS (0.61) CTSSCTSLPOLBGFERCTSB
SCHEMBL7404835 0.80 CTSS (0.61) CTSSCTSLPOLBGFERCTSB
SCHEMBL7607635 0.79 POLB (0.66) CTSSCTSLPOLBGFERCTSB
SCHEMBL10778417 0.78 CTSS (0.62) CTSSCTSLPOLBGFERCTSB

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-0249096-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1987-12-16 EP disclosed