SCHEMBL12378930

SCHEMBL12378930

[2H]CC#CCNC(=O)CCCN

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 2/20 0.36
FURIN P09958 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CYP1A2 P05177 2/20 0.34
TSHR P16473 2/20 0.34
GABRR3 A8MPY1 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
HDAC3 O15379 1/20 0.34
GABBR2 O75899 1/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRR1 P24046 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRR2 P28476 1/20 0.34
SLC6A1 P30531 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
SCHEMBL13202008 0.87 SLC6A5 (0.38) SLC6A5FURINCA1CA2CYP1A2
SCHEMBL13949815 0.79 SLC6A5 (0.41) SLC6A5CA1CA2CYP1A2TSHR
SCHEMBL13202342 0.79 SLC6A5 (0.38) SLC6A5CA1CA2CYP1A2TSHR
SCHEMBL2290844 0.78 SLC6A5 (0.37) SLC6A5CA1CA2CYP1A2TSHR
SCHEMBL10557329 0.75 TSHR (0.41) SLC6A5CA1CA2CYP1A2TSHR
SCHEMBL14943105 0.70
SCHEMBL7444824 0.70
SCHEMBL23452547 0.68 FAAH (0.59) KMT2AFAAH
SCHEMBL8508766 0.68 SLC6A5 (0.49) SLC6A5LMNATHRBBLMKMT2A
SCHEMBL11142780 0.68 CA1 (0.47) SLC6A5CA1CA2CYP1A2TSHR

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-8008007-B2 S-adenosyl-L-methionine analogs with extended activated groups for transfer by methyltransferases RWTH AACHEN (DE) 2011-08-30 US disclosed