SCHEMBL8809201

SCHEMBL8809201

CCCCCCCCCCCCCCCCCC(=O)NCCN(C)CCO

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.71
NAAA Q02083 1/20 0.57
FAAH O00519 5/20 0.56
SELP P16109 1/20 0.54
CNR1 P21554 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
TRPV1 Q8NER1 1/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
ALOX12 P18054 1/20 0.52
BLM P54132 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CASP2 P42575 1/20 0.51

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
SCHEMBL9549623 0.93 DNM1 (0.80) DNM1NAAAFAAHSELPCNR1
Bromide SCHEMBL11566193 0.92 DNM1 (0.71) DNM1NAAAFAAHSELPCNR1
SCHEMBL9549062 0.92 DNM1 (0.69) DNM1NAAAFAAHSELPCNR1
Hydrochloric Acid SCHEMBL10935086 0.92 DNM1 (0.77) DNM1NAAAFAAHSELPCNR1
SCHEMBL9549177 0.90 DNM1 (0.75) DNM1NAAAFAAHSELPCASP2
SCHEMBL28336670 0.89 DNM1 (0.57) DNM1NAAAFAAHSELPCNR1
SCHEMBL25413209 0.88 DNM1 (0.81) DNM1NAAAFAAHSELPCNR1
SCHEMBL9549506 0.88 DNM1 (0.81) DNM1NAAAFAAHSELPCNR1
SCHEMBL25413301 0.88 DNM1 (0.81) DNM1NAAAFAAHSELPCNR1
SCHEMBL3884774 0.88 DNM1 (0.81) DNM1NAAAFAAHSELPCNR1

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
JP-9012520-A None JP disclosed
JP-H0912520-A PRODUCTION OF N-METHYL TERTIARY AMINE KAO CORP 1997-01-14 JP disclosed