SCHEMBL24891709

SCHEMBL24891709

CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(N5CCN(C=O)CC5)cc4)cc3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.61
MAPT P10636 9/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
TSHR P16473 1/20 0.60
USP2 O75604 1/20 0.57
TP53 P04637 1/20 0.57
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CYP2C19 P33261 2/20 0.56
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
LMNA P02545 3/20 0.54
ALDH1A1 P00352 3/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
ESR2 Q92731 1/20 0.52

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
SCHEMBL29803251 0.92 MAPT (0.69) NAMPTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL30182423 0.92 MAPT (0.69) NAMPTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5081454 0.89 NAMPT (0.65) NAMPTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11960760 0.88 KMT2A (0.71) NAMPTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2455257 0.88 MAPT (0.64) NAMPTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2454198 0.88 MAPT (0.64) NAMPTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL24891887 0.88 MAPT (0.64) NAMPTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11889756 0.87 MAPT (0.68) NAMPTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11889653 0.87 NPC1 (0.64) NAMPTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11960907 0.87 MAPT (0.60) NAMPTMAPTSMN1; SMN2MEN1KMT2A

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