SCHEMBL19370573

SCHEMBL19370573

Cn1c(=O)c2c(ncn2CNCn2cnc3c2c(=O)n(C)c(=O)n3C)n(C)c1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 11/20 0.71
LMNA P02545 3/20 0.71
MAPT P10636 1/20 0.71
SMN1; SMN2 Q16637 4/20 0.67
RXFP1 Q9HBX9 1/20 0.64
POLB P06746 2/20 0.64
PIK3CD O00329 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
CNR1 P21554 1/20 0.64
ACHE P22303 1/20 0.64
ADORA2A P29274 1/20 0.64
ADORA1 P30542 1/20 0.64
NTSR1 P30989 1/20 0.64
MC3R P41968 1/20 0.64
NOTUM Q6P988 1/20 0.64
SIRT3 Q9NTG7 1/20 0.64
GDA Q9Y2T3 1/20 0.64
NR2E1 Q9Y466 1/20 0.64
MAPK1 P28482 1/20 0.62
ALDH1A1 P00352 1/20 0.62

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
SCHEMBL16120984 0.89 ADORA2B (0.81) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL19533057 0.88 ADORA2B (0.73) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL16120975 0.86 ADORA2B (0.88) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL516014 0.86 ADORA2B (0.72) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL16120979 0.86 ADORA2B (0.85) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL4529535 0.85 ADORA2B (0.76) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL8443037 0.85 ADORA2B (0.77) ADORA2BLMNAMAPTSMN1; SMN2ADORA2A
SCHEMBL5973969 0.85 ADORA2B (0.70) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL8666393 0.85 ADORA2B (0.79) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL16120989 0.85 ADORA2B (0.85) ADORA2BLMNAMAPTSMN1; SMN2RXFP1

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-9764872-B2 Gas barrier enhancing additives and methods THE COCA-COLA COMPANY (US) 2017-09-19 US disclosed