SCHEMBL8014304

SCHEMBL8014304

CN(C)CCCON1C2=C(CCCC2)C(N)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.36
SLC6A4 P31645 3/20 0.36
HRH1 P35367 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
CACNA1B Q00975 2/20 0.36
HTR2C P28335 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 1/20 0.36
CACNA1F O60840 1/20 0.36
SLC22A3 O75751 1/20 0.36
HTR3B O95264 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PRNP P04156 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
HTR1A P08908 1/20 0.36
CHRM5 P08912 1/20 0.36
ADORA3 P0DMS8 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
SCHEMBL7944942 0.93 RET (0.35) HTR2ASLC6A4HRH1LMNAMAPT
SCHEMBL7944450 0.82 ALOX12 (0.45) DRD2DRD4DRD3SMN1; SMN2
SCHEMBL7946306 0.81 HRH3 (0.34) HTR2AHRH1HRH3
SCHEMBL7935365 0.78 LTA4H (0.32) MAPTHTR2CHTR2B
Hydrochloric Acid SCHEMBL7946351 0.77
SCHEMBL8014096 0.76 ALDH1A1 (0.43) LMNAALDH1A1CHRM5CHRM1SMPD1
SCHEMBL7935372 0.74 IDO1 (0.36) SLC6A4ALDH1A1HTR1ASLC6A2HTR6
SCHEMBL8013011 0.74 CHRM2 (0.31) MAPTALDH1A1CHRM2CHRM4CHRM1
SCHEMBL10403793 0.69 HTR2A (0.30) HTR2A
SCHEMBL7945043 0.69 AADAT (0.40) HTR2A

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
US-6075144-A ABILITY TO INHIBIT ACETYLCHOLINESTERASE; TREATS ALZHEIMER,S DISEASE HOECHST MARION ROUSSEL, INC. (US) 2000-06-13 US claimed