SCHEMBL16120989

SCHEMBL16120989

Cn1c(=O)c2c(ncn2CCCCCCCCCCn2cnc3c2c(=O)n(C)c(=O)n3C)n(C)c1=O

nearest known ligand 0.85

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 11/20 0.85
RXFP1 Q9HBX9 2/20 0.76
MAPK1 P28482 1/20 0.76
LMNA P02545 2/20 0.74
MAPT P10636 1/20 0.74
TSHR P16473 1/20 0.70
ALDH1A1 P00352 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.64
HTR7 P34969 1/20 0.64
HTR6 P50406 1/20 0.64
ADORA2A P29274 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
SCHEMBL16120999 1.00 ADORA2B (0.85) ADORA2BRXFP1MAPK1LMNAMAPT
SCHEMBL16121000 1.00 ADORA2B (0.85) ADORA2BRXFP1MAPK1LMNAMAPT
SCHEMBL16120982 1.00 ADORA2B (0.85) ADORA2BRXFP1MAPK1LMNAMAPT
SCHEMBL16120983 1.00 ADORA2B (0.85) ADORA2BRXFP1MAPK1LMNAMAPT
SCHEMBL19969384 1.00 ADORA2B (0.85) ADORA2BRXFP1MAPK1LMNAMAPT
SCHEMBL16120975 0.98 ADORA2B (0.88) ADORA2BRXFP1MAPK1LMNAMAPT
SCHEMBL11701929 0.95 ADORA2B (0.78) ADORA2BRXFP1MAPK1LMNAMAPT
SCHEMBL11699832 0.95 ADORA2B (0.78) ADORA2BRXFP1MAPK1LMNAMAPT
SCHEMBL10394216 0.95 ADORA2B (0.78) ADORA2BRXFP1MAPK1LMNAMAPT
SCHEMBL11702145 0.95 ADORA2B (0.78) ADORA2BRXFP1MAPK1LMNAMAPT

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