SCHEMBL8945899

SCHEMBL8945899

CNC(CNC(=O)C(C)(C)Cc1ccccc1)c1ccsc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 10/20 0.41
OPRM1 P35372 8/20 0.41
OPRD1 P41143 6/20 0.41
RIPK1 Q13546 2/20 0.39
ADRB3 P13945 1/20 0.39
MMP8 P22894 2/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL8945836 0.81 OPRK1 (0.41) OPRK1RIPK1ADRB3MMP8ALDH1A1
SCHEMBL8945920 0.80 MMP1 (0.42) OPRK1RIPK1MMP8MMP1MMP9
SCHEMBL8945878 0.78 RIPK1 (0.39) OPRK1OPRM1OPRD1RIPK1MMP8
SCHEMBL8945943 0.78 L3MBTL1 (0.44) OPRK1ADRB3
SCHEMBL8945941 0.77 RIPK1 (0.39) OPRK1OPRM1OPRD1RIPK1MMP8
SCHEMBL8945854 0.75 RIPK1 (0.40) OPRK1OPRM1OPRD1RIPK1MMP8
SCHEMBL22061858 0.72 SLC6A2 (0.46) ALDH1A1
SCHEMBL19925929 0.71 SLC6A2 (0.34) OPRK1OPRM1OPRD1ADRB3
SCHEMBL30142484 0.71 NAMPT (0.46)
SCHEMBL19925931 0.71 NAMPT (0.46)

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
US-5510346-A ANTIDEPRESSANTS, ANTIANXIETY AGENTS HOECHST MARION ROUSSEL, INC. (US) 1996-04-23 US disclosed