SCHEMBL28167683

SCHEMBL28167683

CCC(C)(C)C(=O)ON1CCCC1c1cccc(F)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 6/20 0.58
PDE5A O76074 1/20 0.41
JAK2 O60674 3/20 0.41
NTRK1 P04629 3/20 0.41
OPRK1 P41145 4/20 0.41
OPRM1 P35372 3/20 0.41
OPRD1 P41143 2/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
SSTR4 P31391 1/20 0.39
DRD4 P21917 1/20 0.39
MAOB P27338 1/20 0.38

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
SCHEMBL17881986 0.82 RIPK1 (0.80) RIPK1PDE5AJAK2NTRK1OPRK1
SCHEMBL17881960 0.77 RIPK1 (0.71) RIPK1PDE5ADRD4
SCHEMBL3347010 0.74 RIPK1 (0.56) RIPK1PDE5AJAK2NTRK1MAOB
SCHEMBL17067870 0.74 RIPK1 (0.73) RIPK1PDE5AJAK2NTRK1OPRK1
SCHEMBL17067869 0.74 RIPK1 (0.73) RIPK1PDE5AJAK2NTRK1OPRK1
SCHEMBL469686 0.74 RIPK1 (0.73) RIPK1PDE5AJAK2NTRK1OPRK1
SCHEMBL19275745 0.73 RIPK1 (0.58) RIPK1OPRK1OPRM1OPRD1MAOB
SCHEMBL17358798 0.71 RIPK1 (0.61) RIPK1PDE5AJAK2NTRK1MAOB
SCHEMBL28167652 0.71 RIPK1 (0.73) RIPK1JAK2NTRK1OPRK1OPRM1
SCHEMBL17358800 0.71 RIPK1 (0.61) RIPK1PDE5AJAK2NTRK1MAOB

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
CN-107108492-A Inhibitor of cellular necrosis 北京生命科学研究所 2017-08-29 CN disclosed