SCHEMBL7651302

SCHEMBL7651302

C=CCc1cn([C@H]2C[C@H](O)[C@@H](C(O)C(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)O2)c(=O)nc1NC(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 4/20 0.36
ADORA3 P0DMS8 9/20 0.35
ADORA1 P30542 2/20 0.35
OPRD1 P41143 1/20 0.35
POLB P06746 1/20 0.34
ADORA2A P29274 2/20 0.34
ABL1 P00519 1/20 0.32
RIN1 Q13671 1/20 0.32
ADORA2B P29275 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
DCK P27707 1/20 0.32

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
SCHEMBL7651299 0.91 POLB (0.33) POLBABL1RIN1
SCHEMBL2114276 0.88 TMIGD3 (0.40) TMIGD3ADORA3ADORA1POLBADORA2A
SCHEMBL7599198 0.85 TMIGD3 (0.36) TMIGD3ADORA3ADORA1POLBADORA2A
SCHEMBL7599446 0.82 TMIGD3 (0.33) TMIGD3ADORA3ADORA1POLBADORA2A
SCHEMBL7599000 0.82 TMIGD3 (0.33) TMIGD3ADORA3ADORA1POLBADORA2A
SCHEMBL7533550 0.82 POLB (0.51) TMIGD3ADORA3POLBABL1RIN1
SCHEMBL332975 0.82 POLB (0.51) TMIGD3ADORA3POLBABL1RIN1
SCHEMBL7648806 0.81 TYMS (0.43)
SCHEMBL10821859 0.81 TMIGD3 (0.34) TMIGD3ADORA3ADORA1POLBADORA2A
SCHEMBL10344716 0.81 TMIGD3 (0.33) TMIGD3ADORA3ADORA1POLBADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0135587-B2 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS SYNGENE INC (US) 2002-12-18 EP disclosed
EP-0135587-A4 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS. MOLECULAR BIOSYSTEMS INC (US) 1986-04-02 EP disclosed
EP-0135587-A1 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS. MOLECULAR BIOSYSTEMS INC (US) 1985-04-03 EP disclosed
WO-1984003285-A1 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS MOLECULAR BIOSYSTEMS INC (US) 1984-08-30 WO disclosed