SCHEMBL24864481

SCHEMBL24864481

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FURIN P09958 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
OPRD1 P41143 1/20 0.39
BACE1 P56817 1/20 0.39
HTT P42858 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 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
SCHEMBL29342071 0.92 FURIN (0.43) FURINBACE1S1PR1S1PR3
SCHEMBL24864662 0.92 FURIN (0.44) FURINSMN1; SMN2BACE1HTT
SCHEMBL29339858 0.92 FURIN (0.43) FURINSMN1; SMN2HTT
SCHEMBL29342072 0.90 FURIN (0.45) FURINSMN1; SMN2OPRD1HTT
SCHEMBL17133811 0.89 FURIN (0.45) FURINSMN1; SMN2HTT
SCHEMBL17133812 0.89 FURIN (0.45) FURINSMN1; SMN2HTT
SCHEMBL24864480 0.88 NPY4R (0.42) FURINHTT
SCHEMBL24864665 0.88 NPY4R (0.44) FURIN
SCHEMBL31559005 0.88 FURIN (0.41) FURINSMN1; SMN2HTT
SCHEMBL31047760 0.88 FURIN (0.41) FURINSMN1; SMN2HTT

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