SCHEMBL11458154

SCHEMBL11458154

COc1ccc(CCCN(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.61
HRH3 Q9Y5N1 3/20 0.59
CALM1 P0DP23 1/20 0.58
ALOX5 P09917 1/20 0.57
TAAR1 Q96RJ0 1/20 0.53
IGF1R P08069 1/20 0.51
ALOX15 P16050 1/20 0.51
KCNH2 Q12809 2/20 0.50
SIGMAR1 Q99720 1/20 0.50
SLC6A4 P31645 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49

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
Hydrochloric Acid SCHEMBL8615620 0.98 AOC3 (0.59) AOC3HRH3CALM1ALOX5TAAR1
SCHEMBL11131252 0.94 AOC3 (0.59) AOC3HRH3CALM1ALOX5TAAR1
SCHEMBL11378805 0.90 AOC3 (0.51) AOC3HRH3CALM1ALOX5TAAR1
SCHEMBL648620 0.88 AOC3 (0.71) AOC3HRH3CALM1TAAR1KCNH2
Hydrochloric Acid SCHEMBL8506777 0.86 AOC3 (0.69) AOC3HRH3TAAR1KCNH2SIGMAR1
SCHEMBL9670561 0.85 SIGMAR1 (0.64) AOC3HRH3TAAR1KCNH2SIGMAR1
SCHEMBL9151000 0.84 NPC1 (0.64) ALOX5LMNAMAPT
Hydrochloric Acid SCHEMBL17064265 0.83 AOC3 (0.77) AOC3CALM1ALOX5TAAR1IGF1R
SCHEMBL244070 0.83 CALM1 (0.79) AOC3CALM1ALOX5TAAR1IGF1R
SCHEMBL4254058 0.83 CALM1 (0.72) AOC3CALM1ALOX5TAAR1IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013062024-A1 PLANT DISEASE CONTROL AGENT CONTAINING ARYLAMIDINE DERIVATIVE OR SALT THEREOF 石原産業株式会社 (JP) 2013-05-02 WO disclosed
EP-0007206-A1 Phenethanolamines, their formulations, preparation and use ELI LILLY AND COMPANY (US) 1980-01-23 EP disclosed