SCHEMBL8103467

SCHEMBL8103467

C[n+]1ccccc1/C=C(/c1ccccc1)N1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.42
TSHR P16473 2/20 0.42
HRH1 P35367 1/20 0.42
PDE4D Q08499 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 4/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
USP2 O75604 1/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
PABPC1 P11940 1/20 0.36
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL8103469 1.00 ACHE (0.42) ACHETSHRHRH1PDE4DHDAC8
Iodide SCHEMBL5948720 0.98 KDM4E (0.44) ACHETSHRHRH1PDE4DHDAC8
Iodide SCHEMBL5948723 0.98 KDM4E (0.44) ACHETSHRHRH1PDE4DHDAC8
SCHEMBL6344139 0.90 HPGD (0.36) ACHETSHRHRH1PDE4DHDAC8
SCHEMBL8103317 0.87 TSHR (0.41) ACHETSHRHRH1PDE4DHDAC8
SCHEMBL8103321 0.87 TSHR (0.41) ACHETSHRHRH1PDE4DHDAC8
Iodide SCHEMBL5949586 0.86 SMN1; SMN2 (0.41) ACHETSHRHRH1PDE4DHDAC8
Iodide SCHEMBL5949583 0.86 SMN1; SMN2 (0.41) ACHETSHRHRH1PDE4DHDAC8
SCHEMBL6344962 0.79 PHGDH (0.38) TSHRSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL11482047 0.75 HPGD (0.52) HPGDMEN1KMT2AALDH1A1USP2

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