SCHEMBL417713

SCHEMBL417713

CCNC(=O)NCC(c1cccc(Cl)c1Cl)N(C(=O)O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
MAPK1 P28482 1/20 0.34
ITGAV P06756 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL19244878 0.86 OPRM1 (0.39) OPRM1MEN1KMT2ATMEM97SIGMAR1
SCHEMBL381522 0.82 MEN1 (0.35) OPRM1MEN1KMT2AMAPK1ITGAV
SCHEMBL380995 0.81 KMT2A (0.36) OPRM1MEN1KMT2AITGAV
SCHEMBL19244855 0.80 MEN1 (0.41) OPRM1MEN1KMT2AMAPK1TAS1R3
SCHEMBL381393 0.79 NISCH (0.43) MEN1KMT2AMAPK1TAS1R3TAS1R1
SCHEMBL381228 0.78 MEN1 (0.39) OPRM1MEN1KMT2AMAPK1TAS1R3
SCHEMBL19244879 0.78 MEN1 (0.37) MEN1KMT2AMAPK1TAS1R3TAS1R1
SCHEMBL19244810 0.76 OPRM1 (0.48) OPRM1KMT2AOPRK1
SCHEMBL10217238 0.75 CYP1A2 (0.45) OPRM1MEN1KMT2AOPRD1OPRK1
SCHEMBL16674049 0.75 MEN1 (0.37) MEN1KMT2ATAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408751-B1 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER IP GMBH (DE) 2017-08-23 EP disclosed
EP-2408751-A1 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof Bayer Pharma Aktiengesellschaft (DE) 2012-01-25 EP disclosed
WO-2010105770-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-23 WO disclosed