SCHEMBL4237279

SCHEMBL4237279

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

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
OPRD1 P41143 2/20 0.34
SIGMAR1 Q99720 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TGFBR1 P36897 1/20 0.32

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
SCHEMBL28577180 0.75 SIGMAR1 (0.43) CHRM5CHRM3SIGMAR1
SCHEMBL9988980 0.74 LMNA (0.35) OPRD1SIGMAR1
SCHEMBL4058738 0.71 OPRD1 (0.33) CHRM5CHRM3OPRD1SIGMAR1
SCHEMBL7713683 0.66
SCHEMBL13076983 0.66
SCHEMBL2010031 0.66
SCHEMBL7718079 0.66 SLC6A2 (0.30) OPRD1
SCHEMBL3301449 0.66 KDM4E (0.31) OPRD1KDM4E
SCHEMBL28706411 0.65 LMNA (0.45) CHRM5CHRM3OPRD1SIGMAR1
SCHEMBL28716337 0.65 LMNA (0.45) CHRM5CHRM3OPRD1SIGMAR1

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-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