SCHEMBL8103388

SCHEMBL8103388

C[n+]1c(/C=C(\c2ccccc2)N2CCOCC2)cccc1N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 4/20 0.38
NPC1 O15118 3/20 0.38
LMNA P02545 3/20 0.38
HPGD P15428 3/20 0.38
PHGDH O43175 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
KMO O15229 1/20 0.37
GAA P10253 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 3/20 0.36
THRB P10828 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 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
SCHEMBL8103390 1.00 MAPT (0.38) MAPTRAB9ASMN1; SMN2ALDH1A1NPC1
Iodide SCHEMBL5949266 0.99 MAPT (0.38) MAPTRAB9ASMN1; SMN2ALDH1A1NPC1
Iodide SCHEMBL5949270 0.99 MAPT (0.38) MAPTRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL8103317 0.79 TSHR (0.41) MAPTRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL8103321 0.79 TSHR (0.41) MAPTRAB9ASMN1; SMN2ALDH1A1NPC1
Iodide SCHEMBL5949583 0.78 SMN1; SMN2 (0.41) MAPTRAB9ASMN1; SMN2ALDH1A1NPC1
Iodide SCHEMBL5949586 0.78 SMN1; SMN2 (0.41) MAPTRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL8992020 0.73 PHGDH (0.51) MAPTRAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL8992021 0.73 PHGDH (0.51) MAPTRAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL10420577 0.73 PHGDH (0.51) MAPTRAB9ASMN1; SMN2ALDH1A1LMNA

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
EP-1050531-A1 Pyridine and piperidine derivatives for treating neurodegenerative diseases ADIR ET COMPAGNIE (FR) 2000-11-08 EP disclosed