SCHEMBL9250951

SCHEMBL9250951

CCCCC(=O)NCC(C)CCCNC(=S)C(N)=S

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.38
SLC6A5 Q9Y345 2/20 0.38
FAAH O00519 4/20 0.38
TLR2 O60603 2/20 0.38
CNR1 P21554 1/20 0.36
NAAA Q02083 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
DNM1 Q05193 1/20 0.36
NOD1 Q9Y239 1/20 0.36
RRM1 P23921 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL9254145 0.95 FAAH (0.46) CASP2SLC6A5FAAHTLR2NAAA
SCHEMBL9250166 0.95 FAAH (0.46) CASP2SLC6A5FAAHTLR2NAAA
SCHEMBL9249825 0.95 FAAH (0.46) CASP2SLC6A5FAAHTLR2NAAA
SCHEMBL9250753 0.94 CASP2 (0.41) CASP2SLC6A5FAAHCNR1NAAA
SCHEMBL9254621 0.89 FAAH (0.49) CASP2SLC6A5FAAHCNR1NAAA
SCHEMBL9250799 0.89 FAAH (0.49) CASP2SLC6A5FAAHCNR1NAAA
SCHEMBL9256512 0.89 FAAH (0.49) CASP2SLC6A5FAAHCNR1NAAA
SCHEMBL9251810 0.89 FAAH (0.50) CASP2SLC6A5FAAHNAAADNM1
SCHEMBL9254670 0.87 MEN1 (0.43) DPP7RRM1MEN1KMT2A
SCHEMBL9251142 0.86 FAAH (0.51) CASP2SLC6A5FAAHCNR1NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434213-B1 Monosubstituted dithiooxamide compounds and their use MINNESOTA MINING & MFG (US) 1995-04-05 EP claimed
EP-0434213-A1 Monosubstituted dithiooxamide compounds and their use MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-06-26 EP claimed
EP-0434213-B1 Monosubstituted dithiooxamide compounds and their use MINNESOTA MINING & MFG (US) 1995-04-05 EP disclosed
US-5124308-A Reacts with transition metal salt for carbonless paper copying MINNESOTA MINING AND MANUFACTURING COMPANY 1992-06-23 US disclosed
US-5041654-A Transamination in wallach reaction; controlling temperature; reactant amine concentration MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-08-20 US disclosed
EP-0434213-A1 Monosubstituted dithiooxamide compounds and their use MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-06-26 EP disclosed
EP-0431783-A1 Preparation of monosubstituted dithiooxamide compounds MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-06-12 EP disclosed