SCHEMBL28684142

SCHEMBL28684142

NCCCCC(N)CCCN1C(=O)c2cccc3c(-c4nc5ccccc5[nH]4)ccc1c23

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.43
HEXA P06865 2/20 0.41
HEXB P07686 2/20 0.41
ALDH1A1 P00352 7/20 0.36
NPC1 O15118 6/20 0.36
RAB9A P51151 6/20 0.36
KDM4E B2RXH2 6/20 0.36
HPGD P15428 5/20 0.36
HSD17B10 Q99714 3/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 6/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 3/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 3/20 0.36
GAA P10253 2/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL28683129 0.99 PDE10A (0.42) PDE10AHEXAHEXBALDH1A1NPC1
SCHEMBL28686300 0.99 PDE10A (0.42) PDE10AHEXAHEXBALDH1A1NPC1
SCHEMBL28684146 0.97 PDE10A (0.43) PDE10AHEXAHEXBALDH1A1NPC1
SCHEMBL28932829 0.96 PDE10A (0.43) PDE10AHEXAHEXBALDH1A1NPC1
SCHEMBL28704956 0.96 PDE10A (0.40) PDE10AHEXAHEXBALDH1A1NPC1
SCHEMBL28705784 0.85 PDE10A (0.38) PDE10AALDH1A1NPC1RAB9AKDM4E
SCHEMBL28693050 0.80 HTR4 (0.48) PDE10AHTR1ADRD2HTR2AHTR7
SCHEMBL28686296 0.79 TRPV4 (0.47) PDE10AHTR1ADRD2HTR2AHTR7
SCHEMBL28696297 0.79 HEXA (0.41) HEXAHEXBALDH1A1KDM4EHPGD
SCHEMBL27825025 0.77 PDE10A (0.53) PDE10AALDH1A1NPC1RAB9AKDM4E

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
CN-109665987-B Naphthaleneimide-polyamine conjugates, methods of making and uses thereof 河南大学 2022-02-18 CN disclosed