SCHEMBL24891745

SCHEMBL24891745

CC(C)(C)OC(=O)/N=C(\NCc1ccc(NC(=O)C23CCC(C(=O)Nc4ccc(C5=CCN(/C(=N/C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC5)cc4)(CC2)CC3)cc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 12/20 0.40
BTK Q06187 2/20 0.35
KIT P10721 2/20 0.35
MET P08581 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
DGAT2 Q96PD7 1/20 0.34
WNT3A P56704 1/20 0.33

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
SCHEMBL30182708 1.00 NAMPT (0.40) NAMPTBTKKITMETTLR7
SCHEMBL30182317 0.90 NAMPT (0.44) NAMPTKITWNT3A
SCHEMBL24891771 0.90 NAMPT (0.44) NAMPTKITWNT3A
SCHEMBL24891922 0.87 NAMPT (0.47) NAMPT
SCHEMBL24891648 0.87 NAMPT (0.43) NAMPTKITWNT3A
SCHEMBL24892125 0.85 NAMPT (0.41) NAMPTKITWNT3A
SCHEMBL24891732 0.85 NAMPT (0.43) NAMPTWNT3A
SCHEMBL24891959 0.85 NAMPT (0.37) NAMPTKITMETDGAT2WNT3A
SCHEMBL30182425 0.85 NAMPT (0.44) NAMPTKITWNT3A
SCHEMBL24892358 0.85 NAMPT (0.41) NAMPTWNT3A

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-2023287736-A1 NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2023-01-19 WO disclosed