SCHEMBL24670258

SCHEMBL24670258

CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)N1CC=C(c2ccc(NC(=O)c3ccc(N4CCN(C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC4)c(F)c3)cc2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 3/20 0.38
CHRM1 P11229 1/20 0.37
NAMPT P43490 1/20 0.36
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 4/20 0.35
MAPK1 P28482 1/20 0.34
WDR5 P61964 2/20 0.34
USP30 Q70CQ3 1/20 0.34
SCN9A Q15858 1/20 0.34
CDK9 P50750 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
NTSR1 P30989 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL24669613 1.00 NPY2R (0.38) NPY2RCHRM1NAMPTHTTL3MBTL1
SCHEMBL24669610 1.00 NPY2R (0.38) NPY2RCHRM1NAMPTHTTL3MBTL1
SCHEMBL24670254 1.00 NPY2R (0.38) NPY2RCHRM1NAMPTHTTL3MBTL1
SCHEMBL29803600 0.94 NPC1 (0.38) NPY2RCHRM1NAMPTMAPTMAPK1
SCHEMBL24670287 0.94 CHRM1 (0.44) NPY2RCHRM1HTTL3MBTL1MAPT
SCHEMBL24670289 0.94 CHRM1 (0.44) NPY2RCHRM1HTTL3MBTL1MAPT
SCHEMBL29803193 0.94 NAMPT (0.40) CHRM1NAMPTMAPTWDR5SCN9A
SCHEMBL24671296 0.94 MAPT (0.37) NPY2RCHRM1NAMPTHTTL3MBTL1
SCHEMBL24671294 0.94 MAPT (0.37) NPY2RCHRM1NAMPTHTTL3MBTL1
SCHEMBL24671547 0.92 NPY2R (0.37) NPY2RCHRM1NAMPTHTTL3MBTL1

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-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 WO disclosed
WO-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 WO disclosed