SCHEMBL6896137

SCHEMBL6896137

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](OCCCc3ccccc3)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYMP P19971 7/20 0.53
ADORA1 P30542 5/20 0.46
ADORA3 P0DMS8 3/20 0.46
ADORA2A P29274 3/20 0.46
ADORA2B P29275 1/20 0.46
P2RY12 Q9H244 1/20 0.45
DNPH1 O43598 1/20 0.44

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
SCHEMBL6898807 0.94 TYMP (0.55) TYMPADORA1ADORA2AADORA2BP2RY12
SCHEMBL6894664 0.93 TYMP (0.54) TYMPADORA1P2RY12
SCHEMBL6896830 0.93 TYMP (0.55) TYMPADORA1ADORA2AADORA2BP2RY12
SCHEMBL1040958 0.93 TYMP (0.56) TYMPADORA1ADORA2AADORA2BP2RY12
SCHEMBL30200670 0.93 TYMP (0.56) TYMPADORA1ADORA2AADORA2BP2RY12
SCHEMBL6834984 0.93 TYMP (0.56) TYMPADORA1ADORA2AADORA2BP2RY12
SCHEMBL4464744 0.92 TYMP (0.53) TYMPADORA1P2RY12
SCHEMBL6899475 0.92 TYMP (0.56) TYMPADORA1ADORA2AADORA2BP2RY12
SCHEMBL6900160 0.91 TYMP (0.56) TYMPADORA1ADORA2AADORA2BP2RY12
SCHEMBL23650062 0.91 TYMP (0.58) TYMPADORA1ADORA2AADORA2BP2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0604409-B1 OLIGONUCLEOTIDE ANALOGS FOR DETECTING AND MODULATING RNA ACTIVITY AND GENE EXPRESSION ISIS PHARMACEUTICALS INC (US) 2004-07-14 EP disclosed
EP-1418179-A2 Compositions and methods for detecting and modulating rna activity and gene expression ISIS PHARMACEUTICALS, INC. (US) 2004-05-12 EP disclosed
US-6262241-B1 ANTISENSE COMPOUNDS WHICH CLEAVE PHOSPHORODIESTER BONDS AND IMPROVE PHARMACODYNAMIC AND PHARMACOKINETIC PROPERTIES OF OLIGONUCLEOTIDES, USEFUL IN DIAGNOSING DISEASES ISIS PHARMACEUTICALS, INC. 2001-07-17 US disclosed