SCHEMBL16706902

SCHEMBL16706902

CNC1CCCCC1OCCc1ccc(OC)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.57
KCNA5 P22460 5/20 0.56
SCN5A Q14524 5/20 0.56
KCND2 Q9NZV8 5/20 0.56
KCNH2 Q12809 1/20 0.56
ATM Q13315 2/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
EPHX1 P07099 1/20 0.48
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP19A1 P11511 1/20 0.44
CA2 P00918 1/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL12810311 0.83 SLC6A4 (0.52) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL14459595 0.83 SLC6A4 (0.52) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL14886381 0.83 SLC6A4 (0.61) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL12122818 0.83 SLC6A4 (0.61) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL14390513 0.83 SLC6A4 (0.61) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL12122823 0.83 SLC6A4 (0.61) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL12122820 0.83 SLC6A4 (0.61) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL2632643 0.83 SLC6A4 (0.51) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL2632626 0.83 SLC6A4 (0.51) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL13326771 0.82 SLC6A4 (0.60) SLC6A4KCNA5SCN5AKCND2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210301266-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2021-09-30 US disclosed
US-11060072-B2 Engineered imine reductases and methods for the reductive amination of ketone and amine compounds CODEXIS, INC. (US) 2021-07-13 US disclosed
EP-3068793-B1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS CODEXIS INC (US) 2021-02-17 EP disclosed
US-20190345458-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2019-11-14 US disclosed
US-10407668-B2 Engineered imine reductases and methods for the reductive amination of ketone and amine compounds CODEXIS, INC. (US) 2019-09-10 US disclosed
US-20180030419-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2018-02-01 US disclosed
US-20180030419-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2018-02-01 US disclosed
US-9822346-B2 Engineered imine reductases and methods for the reductive amination of ketone and amine compounds CODEXIS, INC. (US) 2017-11-21 US disclosed
US-9822346-B2 Engineered imine reductases and methods for the reductive amination of ketone and amine compounds CODEXIS, INC. (US) 2017-11-21 US disclosed
US-20150132807-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2015-05-14 US disclosed
US-20150132807-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2015-05-14 US disclosed