SCHEMBL4058738

SCHEMBL4058738

CCC(N1CCNC1)N(C(=O)C(N)=O)C(CC)N1CCNC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.33
OPRM1 P35372 3/20 0.33
SIGMAR1 Q99720 1/20 0.32
OPRK1 P41145 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL19920792 0.73 SLC6A2 (0.31) OPRD1OPRM1
SCHEMBL9988980 0.73 LMNA (0.35) OPRD1SIGMAR1
SCHEMBL4237279 0.71 CHRM5 (0.34) OPRD1SIGMAR1CHRM5CHRM3
SCHEMBL3802269 0.67
SCHEMBL1905214 0.66 SIGMAR1 (0.47) SIGMAR1
SCHEMBL7717160 0.65
SCHEMBL7713683 0.65
SCHEMBL2010031 0.65
SCHEMBL13076983 0.65
SCHEMBL3301449 0.65 KDM4E (0.31) OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1468032-B1 ALKYLAMINO OXAMIDES AS LOW ODOR NON FUGITIVE CATALYSTS FOR THE PRODUCTION OF POLYURETHANES MOMENTIVE PERFORMANCE MAT INC (US) 2009-10-21 EP claimed
EP-1468032-A1 ALKYLAMINO OXAMIDES AS LOW ODOR, NON−FUGITIVE CATALYSTS FOR THE PRODUCTION OF POLYURETHANES General Electric Company (US) 2004-10-20 EP claimed
US-6600001-B1 Synthesis of polyurethanes is disclosed wherein the process comprises reacting polyurethane-forming reactants in the presence of an effective amount of a catalyst comprising at least one alkylamino oxainide of the structure: CROMPTON CORPORATION 2003-07-29 US claimed
WO-2003059979-A1 ALKYLAMINO OXAMIDES AS LOW ODOR, NON-FUGITIVE CATALYSTS FOR THE PRODUCTION OF POLYURETHANES GENERAL ELECTRIC COMPANY (US) 2003-07-24 WO claimed
EP-1468032-B1 ALKYLAMINO OXAMIDES AS LOW ODOR NON FUGITIVE CATALYSTS FOR THE PRODUCTION OF POLYURETHANES MOMENTIVE PERFORMANCE MAT INC (US) 2009-10-21 EP disclosed
US-6600001-B1 Synthesis of polyurethanes is disclosed wherein the process comprises reacting polyurethane-forming reactants in the presence of an effective amount of a catalyst comprising at least one alkylamino oxainide of the structure: CROMPTON CORPORATION 2003-07-29 US disclosed