SCHEMBL787893

SCHEMBL787893

CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(CCc2ccc(N)cc2)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 1.00
ADORA2B P29275 3/20 1.00
ADORA1 P30542 8/20 0.74
ADORA3 P0DMS8 2/20 0.74
MEN1 O00255 1/20 0.74
GMNN O75496 1/20 0.74
LMNA P02545 1/20 0.74
CYP1A2 P05177 1/20 0.74
TSHR P16473 1/20 0.74
PMP22 Q01453 1/20 0.74
KMT2A Q03164 1/20 0.74
HIF1A Q16665 1/20 0.74

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
SCHEMBL8576945 0.90 ADORA2A (0.82) ADORA2AADORA2BADORA1ADORA3MEN1
SCHEMBL8580754 0.90 ADORA3 (0.85) ADORA2AADORA2BADORA1ADORA3MEN1
SCHEMBL8575307 0.89 ADORA2A (0.80) ADORA2AADORA2BADORA1ADORA3MEN1
SCHEMBL8576983 0.88 ADORA2A (0.79) ADORA2AADORA2BADORA1ADORA3MEN1
SCHEMBL2290571 0.87 ADORA2A (0.77) ADORA2AADORA2BADORA1ADORA3MEN1
1,3-Dipropyl-8-Cyclopentylxanthine [Dpcpx] SCHEMBL382422 0.86 ADORA1 (1.00) ADORA2AADORA2BADORA1ADORA3MEN1
SCHEMBL9562387 0.85 ADORA2B (0.74) ADORA2AADORA2BADORA1ADORA3MEN1
SCHEMBL8576751 0.85 ADORA2A (0.74) ADORA2AADORA2BADORA1ADORA3MEN1
SCHEMBL9562389 0.85 ADORA2B (0.74) ADORA2AADORA2BADORA1ADORA3MEN1
SCHEMBL9402220 0.85 ADORA2B (0.74) ADORA2AADORA2BADORA1ADORA3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616817-A2 METHODS OF USE AND KIT FOR MEASUREMENT OF LIPOPOLYSACCHARIDE WITH A TIME RESOLVED FLUORESCENCE BASED ASSAY Endacea, Inc. (US) 2013-07-24 EP disclosed
US-20130183696-A1 METHODS OF USE AND KIT FOR MEASUREMENT OF LIPOPOLYSACCHARIDE WITH A TIME RESOLVED FLUORESCENCE BASED ASSAY WILSON CONSTANCE NEELY (US) 2013-07-18 US disclosed
WO-2012037361-A2 METHODS OF USE AND KIT FOR MEASUREMENT OF LIPOPOLYSACCHARIDE WITH A TIME RESOLVED FLUORESCENCE BASED ASSAY ENDACEA, INC. (US) 2012-03-22 WO disclosed
US-5336769-A Anti-dementia drug KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-08-09 US disclosed
EP-0556778-A2 Xanthine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-08-25 EP disclosed