SCHEMBL24671547

SCHEMBL24671547

CC(C)(C)OC(=O)N=CN1CC=C(c2ccc(C(=O)Nc3ccc(N4CCN(C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC4)c(F)c3)cc2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 5/20 0.37
CHRM1 P11229 1/20 0.34
MAPT P10636 5/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NAMPT P43490 2/20 0.32
MAPK1 P28482 1/20 0.32
USP30 Q70CQ3 1/20 0.32
SLC6A9 P48067 1/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL24669610 0.92 NPY2R (0.38) NPY2RCHRM1MAPTALDH1A1SMN1; SMN2
SCHEMBL24670254 0.92 NPY2R (0.38) NPY2RCHRM1MAPTALDH1A1SMN1; SMN2
SCHEMBL24669613 0.92 NPY2R (0.38) NPY2RCHRM1MAPTALDH1A1SMN1; SMN2
SCHEMBL24670258 0.92 NPY2R (0.38) NPY2RCHRM1MAPTALDH1A1SMN1; SMN2
SCHEMBL24670289 0.86 CHRM1 (0.44) NPY2RCHRM1MAPTALDH1A1SMN1; SMN2
SCHEMBL29803600 0.86 NPC1 (0.38) NPY2RCHRM1MAPTNAMPTMAPK1
SCHEMBL24670287 0.86 CHRM1 (0.44) NPY2RCHRM1MAPTALDH1A1SMN1; SMN2
SCHEMBL29803193 0.86 NAMPT (0.40) CHRM1MAPTPOLBNAMPT
SCHEMBL24671296 0.86 MAPT (0.37) NPY2RCHRM1MAPTALDH1A1SMN1; SMN2
SCHEMBL24671294 0.86 MAPT (0.37) NPY2RCHRM1MAPTALDH1A1SMN1; SMN2

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-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