SCHEMBL7700722

SCHEMBL7700722

CNCCCOc1c(C)cccc1C

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 15/20 0.60
HTR1B P28222 2/20 0.58
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
SLC6A4 P31645 1/20 0.50
HRH1 P35367 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50

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
SCHEMBL7697428 0.94 ALDH1A1 (0.63) SCN8AHTR1BKDM4EALDH1A1SLC6A4
SCHEMBL5591551 0.94 HTR1B (0.65) SCN8AHTR1BKDM4EALDH1A1HTR1A
Hydrochloric Acid SCHEMBL2718257 0.92 HTR1B (0.62) SCN8AHTR1BKDM4EALDH1A1HTR1A
SCHEMBL21601469 0.82 KDM4E (0.58) SCN8AHTR1BKDM4EALDH1A1HTR1A
SCHEMBL10693265 0.81 SLC6A4 (0.49) SCN8AHTR1BKDM4EALDH1A1SLC6A4
SCHEMBL10987681 0.79 L3MBTL1 (0.67) SCN8AHTR1BKDM4EALDH1A1SLC6A4
SCHEMBL19668470 0.78 SCN8A (0.54) SCN8AKDM4EALDH1A1HTR1AADRA1D
SCHEMBL38662857 0.78 SCN8A (0.58) SCN8AHTR1BKDM4EALDH1A1HTR1A
SCHEMBL13633202 0.78 HTR1B (0.66) HTR1BKDM4EALDH1A1SLC6A4HRH1
Hydrochloric Acid SCHEMBL10985845 0.78 LMNA (0.68) SCN8AHTR1BKDM4EALDH1A1SLC6A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037871-B1 NOVEL ANTIARRHYTHMIC COMPOUNDS GYOGYSZERKUTATO INTEZET (HU) 2002-07-03 EP disclosed
EP-1037871-A1 NOVEL ANTIARRHYTHMIC COMPOUNDS GYOGYSZERKUTATO INTEZET KFT. (HU) 2000-09-27 EP disclosed
WO-1999029655-A1 NOVEL ANTIARRHYTHMIC COMPOUNDS Gyógyszerkutató Intézet Kft. (HU) 1999-06-17 WO disclosed