SCHEMBL29939211

SCHEMBL29939211

CC1CCN(C(N)=O)C(c2ccccn2)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.41
PRMT5 O14744 3/20 0.40
WDR77 Q9BQA1 3/20 0.40
HHAT Q5VTY9 1/20 0.39
KMT2A Q03164 2/20 0.39
HSD11B1 P28845 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CASP1 P29466 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
GRM5 P41594 1/20 0.37
DRD4 P21917 3/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
GRM4 Q14833 1/20 0.37
TP53 P04637 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL30398913 0.85 CDK5 (0.40) RIPK1PRMT5WDR77HHATKMT2A
SCHEMBL38659451 0.81 HSD11B1 (0.51) RIPK1PRMT5WDR77HSD11B1NPC1
SCHEMBL8296762 0.81 HSD11B1 (0.51) RIPK1PRMT5WDR77HSD11B1NPC1
SCHEMBL29504572 0.80 PRMT5 (0.55) RIPK1PRMT5WDR77HSD11B1NPC1
SCHEMBL31430923 0.80 PRMT5 (0.55) RIPK1PRMT5WDR77HSD11B1NPC1
SCHEMBL30499343 0.77 RIPK1 (0.42) RIPK1PRMT5WDR77HHATNPC1
SCHEMBL29933840 0.76 PIK3C3 (0.41) RIPK1PRMT5WDR77HHATKMT2A
SCHEMBL5321655 0.75 RIPK1 (0.40) RIPK1HHAT
SCHEMBL30764694 0.74 MAPT (0.39) KMT2ANPC1ALDH1A1MEN1DRD4
SCHEMBL5466839 0.74 HSD11B1 (0.41) HSD11B1GRM5DRD4DRD2DRD3

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-110997681-B Thiazolopyridine derivatives as adenosine receptor antagonists 默克专利股份公司 2022-11-15 CN disclosed