SCHEMBL16120979

SCHEMBL16120979

Cn1c(=O)c2c(ncn2CCCn2cnc3c2c(=O)n(C)c(=O)n3C)n(C)c1=O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 12/20 0.85
LMNA P02545 2/20 0.77
MAPT P10636 1/20 0.77
RXFP1 Q9HBX9 2/20 0.74
MAPK1 P28482 1/20 0.74
TSHR P16473 1/20 0.72
ALDH1A1 P00352 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.66
ADORA2A P29274 2/20 0.64
PIK3CD O00329 1/20 0.64
POLB P06746 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
CNR1 P21554 1/20 0.64
ACHE P22303 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

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
SCHEMBL16120975 0.97 ADORA2B (0.88) ADORA2BLMNAMAPTRXFP1MAPK1
SCHEMBL19969384 0.95 ADORA2B (0.85) ADORA2BLMNAMAPTRXFP1MAPK1
SCHEMBL16120989 0.95 ADORA2B (0.85) ADORA2BLMNAMAPTRXFP1MAPK1
SCHEMBL16120999 0.95 ADORA2B (0.85) ADORA2BLMNAMAPTRXFP1MAPK1
SCHEMBL16120983 0.95 ADORA2B (0.85) ADORA2BLMNAMAPTRXFP1MAPK1
SCHEMBL16121000 0.95 ADORA2B (0.85) ADORA2BLMNAMAPTRXFP1MAPK1
SCHEMBL16120982 0.95 ADORA2B (0.85) ADORA2BLMNAMAPTRXFP1MAPK1
SCHEMBL16120984 0.93 ADORA2B (0.81) ADORA2BLMNAMAPTRXFP1MAPK1
SCHEMBL10654215 0.92 ADORA2B (1.00) ADORA2BLMNAMAPTRXFP1MAPK1
SCHEMBL31482443 0.92 ADORA2B (0.81) ADORA2BLMNAMAPTRXFP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349317-A1 GAS BARRIER ENHANCING ADDITIVES AND METHODS THE COCA-COLA COMPANY 2017-12-07 US disclosed
US-20170349317-A1 GAS BARRIER ENHANCING ADDITIVES AND METHODS THE COCA-COLA COMPANY 2017-12-07 US disclosed
US-9764872-B2 Gas barrier enhancing additives and methods THE COCA-COLA COMPANY (US) 2017-09-19 US disclosed
US-9764872-B2 Gas barrier enhancing additives and methods THE COCA-COLA COMPANY (US) 2017-09-19 US disclosed
US-20160031583-A1 GAS BARRIER ENHANCING ADDITIVES AND METHODS CSPC INNOVATION PHARMACEUTICAL CO., LTD. (CN) 2016-02-04 US disclosed
US-20160031583-A1 GAS BARRIER ENHANCING ADDITIVES AND METHODS CSPC INNOVATION PHARMACEUTICAL CO., LTD. (CN) 2016-02-04 US disclosed
WO-2014152788-A1 GAS BARRIER ENHANCING ADDITIVES AND METHODS THE COCA-COLA-COMPANY (US) 2014-09-25 WO disclosed