SCHEMBL7708744

SCHEMBL7708744

COC1C(O)[C@@H](CON2C(=O)c3ccccc3C2=O)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.55
▸ ADORA1 P30542 5/20 0.54
▸ P2RY1 P47900 3/20 0.52
▸ P2RY11 Q96G91 2/20 0.52
▸ SRC P12931 2/20 0.52
▸ P2RY2 P41231 2/20 0.52
▸ DNPH1 O43598 1/20 0.52
▸ PRKAB2 O43741 1/20 0.52
▸ TRPM2 O94759 1/20 0.52
▸ LDHA P00338 1/20 0.52
▸ ADRB2 P07550 1/20 0.52
▸ FBP1 P09467 1/20 0.52
▸ PRKAG1 P54619 1/20 0.52
▸ PRKAA2 P54646 1/20 0.52
▸ PDE4D Q08499 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ PRKAA1 Q13131 1/20 0.52
▸ PDE3A Q14432 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ TAS1R3 Q7RTX0 1/20 0.52

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
SCHEMBL7708739 1.00 ADORA3 (0.55) ADORA3ADORA1P2RY1P2RY11SRC
SCHEMBL1596477 0.85 ADORA1 (0.51) ADORA3ADORA1P2RY1P2RY11SRC
SCHEMBL30209516 0.84 P2RY12 (0.51) ADORA3ADORA1P2RY1P2RY2DNPH1
SCHEMBL7904290 0.83 ADORA1 (0.55) ADORA3ADORA1P2RY1P2RY11SRC
SCHEMBL12376383 0.83 ADORA3 (0.64) ADORA3ADORA1P2RY1P2RY11SRC
SCHEMBL8626012 0.83 ADORA3 (0.64) ADORA3ADORA1P2RY1P2RY11SRC
SCHEMBL21999233 0.83 ADORA3 (0.64) ADORA3ADORA1P2RY1P2RY11SRC
SCHEMBL12360837 0.83 ADORA3 (0.64) ADORA3ADORA1P2RY1P2RY11SRC
SCHEMBL7906331 0.83 ADORA1 (0.54) ADORA3ADORA1P2RY1P2RY11SRC
SCHEMBL6223541 0.82 ADORA3 (0.63) ADORA3ADORA1P2RY1P2RY11SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6359124-B1 NUCLEOTIDE SEQUENCES FOR USE IN THE DIAGNOSIS, DETECTION AND TREATMENT OF ARRHYTHMIA, LONG Q-T SYNDROME AND CANCERS ISIS PHARMACEUTICALS, INC. 2002-03-19 — — US disclosed
US-5965722-A OLIGONUCLEOTIDE WITH METHYLENE(METHYLIMINO) LINKAGES ALTERNATING WITH PHOSPHOROTHIOATE OR PHOSPHODIESTER LINKAGES; WITH INCREASED NUCLEASE RESISTANCE, STABILITY, AFFINITY FOR MESSENGER RNA; ANTICARCINOGENIC/ANTIARRHYTHMIA AGENTS ISIS PHARMACEUTICALS, INC. (US) 1999-10-12 — — US disclosed
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