SCHEMBL6755918

SCHEMBL6755918

CC(C)N(C(C)C)P(OCCC#N)O[C@H]1[C@@H](O)[C@H](n2cnc3c(N)nc(N)nc32)O[C@@H]1COCCSc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 2/20 0.43
▸ ADORA3 P0DMS8 7/20 0.41
▸ ADORA2A P29274 5/20 0.41
▸ ADORA1 P30542 2/20 0.41
▸ SLC29A1 Q99808 2/20 0.40
▸ NT5E P21589 1/20 0.39
▸ PDE2A O00408 2/20 0.39
▸ ADORA2B P29275 2/20 0.38

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
SCHEMBL6753322 0.91 HINT1 (0.42) HINT1ADORA3ADORA2ANT5EADORA2B
SCHEMBL6242507 0.78 HINT1 (0.50) HINT1NT5E
SCHEMBL30324459 0.77 ADORA3 (0.54) ADORA3ADORA2AADORA1SLC29A1ADORA2B
SCHEMBL6242581 0.77 HINT1 (0.48) HINT1NT5E
SCHEMBL6241689 0.76 HINT1 (0.48) HINT1ADORA2ANT5EADORA2B
SCHEMBL6243042 0.76 HINT1 (0.50) HINT1NT5E
SCHEMBL14896399 0.74 HINT1 (0.49) HINT1ADORA2ANT5E
SCHEMBL6239885 0.73 HINT1 (0.44) HINT1NT5E
SCHEMBL30324473 0.73 ADORA1 (0.55) ADORA3ADORA2AADORA1SLC29A1ADORA2B
SCHEMBL12223717 0.72 NT5E (0.43) ADORA3ADORA2AADORA1NT5EPDE2A

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
EP-1409731-A2 METHODS OF MODULATING PHARMACOKINETICS OF OLIGONUCLEOTIDES ISIS Pharmaceuticals, Inc. (US) 2004-04-21 — — EP disclosed
WO-2003004603-A2 METHODS OF MODULATING PHARMACOKINETICS OF OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 2003-01-16 — — WO disclosed
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