SCHEMBL12438895

SCHEMBL12438895

N=C(N)NCCCC(=O)NCCO

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.43
CNR1 P21554 5/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
BLM P54132 2/20 0.41
KMT2A Q03164 2/20 0.41
TRPV1 Q8NER1 2/20 0.41
CNR2 P34972 2/20 0.41
SELP P16109 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
FAAH O00519 1/20 0.41
KCNK3 O14649 1/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL12438897 0.94 NAAA (0.46) NAAACNR1ALDH1A1MEN1BLM
SCHEMBL12438896 0.93 NAAA (0.49) NAAACNR1ALDH1A1MEN1BLM
SCHEMBL12438902 0.88 CNR1 (0.40) NAAACNR1ALDH1A1MEN1BLM
SCHEMBL23543217 0.83 CASP2 (0.53) NAAACNR1MEN1KMT2AFAAH
SCHEMBL8770888 0.81 ITGB3 (0.51) CNR1MEN1KMT2ACNR2FAAH
SCHEMBL19860859 0.80 CNR1 (0.49) NAAACNR1ALDH1A1MEN1BLM
SCHEMBL1231802 0.79 SELP (0.50) NAAACNR1ALDH1A1MEN1BLM
SCHEMBL6369372 0.79 CNR1 (0.47) NAAACNR1ALDH1A1MEN1BLM
SCHEMBL12954814 0.79 SLC6A5 (0.46) NAAAALDH1A1MEN1KMT2AFAAH
SCHEMBL18381395 0.79 PRMT1 (0.47) MEN1KMT2AMAPTTSHR

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
US-20130078351-A1 COMPOUNDS AND METHODS FOR ENHANCING SALTY TASTE MONELL CHEMICAL SENSES CENTER (US) 2013-03-28 US disclosed
WO-2011097344-A1 COMPOUNDS AND METHODS FOR ENHANCING SALTY TASTE MONELL CHEMICAL SENSES CENTER (US) 2011-08-11 WO disclosed