SCHEMBL24891715

SCHEMBL24891715

CC(C)(C)OC(=O)NCc1ccc(NC(=O)C23CC(C(=O)Nc4ccc(C5=CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)(C2)C3)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.45
KIT P10721 2/20 0.44
PDK4 Q16654 1/20 0.41
DGAT2 Q96PD7 1/20 0.41
WNT3A P56704 1/20 0.41
HTR6 P50406 1/20 0.41
JAK1 P23458 1/20 0.41
GRM5 P41594 5/20 0.40
GRM1 Q13255 5/20 0.40
CDK9 P50750 2/20 0.39
CCNT1 O60563 1/20 0.39
MET P08581 1/20 0.38
WDR5 P61964 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
SCHEMBL29803517 0.89 NAMPT (0.46) NAMPTKITPDK4DGAT2WNT3A
SCHEMBL24891670 0.88 NAMPT (0.57) NAMPTKITPDK4DGAT2WNT3A
SCHEMBL24669292 0.88 NAMPT (0.47) NAMPTKITPDK4DGAT2WNT3A
SCHEMBL24892332 0.87 NAMPT (0.49) NAMPTKITDGAT2WNT3AGRM5
SCHEMBL30182243 0.85 KIT (0.44) NAMPTKITDGAT2WNT3AJAK1
SCHEMBL24891663 0.85 KIT (0.44) NAMPTKITDGAT2WNT3AJAK1
SCHEMBL24891865 0.85 NAMPT (0.55) NAMPTKITPDK4DGAT2WNT3A
SCHEMBL24891959 0.84 NAMPT (0.37) NAMPTKITDGAT2WNT3AMET
SCHEMBL24891783 0.83 NAMPT (0.57) NAMPTKITPDK4DGAT2WNT3A
SCHEMBL24891972 0.82 NAMPT (0.51) NAMPTKITDGAT2WNT3AGRM5

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-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
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