SCHEMBL9853713

SCHEMBL9853713

CCCCCCC(=O)NCC(C)CCCN

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.51
SLC6A5 Q9Y345 3/20 0.51
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
DNM1 Q05193 2/20 0.47
TLR2 O60603 2/20 0.47
ASAH1 Q13510 1/20 0.47
HSP90AA1 P07900 1/20 0.44
GNAI3 P08754 1/20 0.43
GNAO1 P09471 1/20 0.43
GNAI1 P63096 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
SCHEMBL9853675 1.00 FAAH (0.51) FAAHSLC6A5MEN1MAPK1KMT2A
SCHEMBL8824280 0.98 SLC6A5 (0.49) FAAHSLC6A5MEN1MAPK1KMT2A
SCHEMBL19269425 0.85 FAAH (0.64) FAAHMEN1MAPK1KMT2ADNM1
SCHEMBL19269424 0.85 FAAH (0.64) FAAHMEN1MAPK1KMT2ADNM1
SCHEMBL9250166 0.83 FAAH (0.46) FAAHSLC6A5MEN1MAPK1KMT2A
SCHEMBL9249825 0.83 FAAH (0.46) FAAHSLC6A5MEN1MAPK1KMT2A
SCHEMBL9254145 0.83 FAAH (0.46) FAAHSLC6A5MEN1MAPK1KMT2A
SCHEMBL10036700 0.83 FAAH (0.61) FAAHMEN1MAPK1KMT2ADNM1
SCHEMBL9251810 0.82 FAAH (0.50) FAAHSLC6A5MEN1MAPK1KMT2A
SCHEMBL9247182 0.82 MEN1 (0.42) MEN1KMT2ATLR2GNAI3GNAO1

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
EP-0434213-A1 Monosubstituted dithiooxamide compounds and their use MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-06-26 EP disclosed