SCHEMBL23200375

SCHEMBL23200375

CC(O)[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(O)C1O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.58
HINT1 P49773 5/20 0.58
NT5E P21589 1/20 0.55
STING1 Q86WV6 4/20 0.55
PDE3B Q13370 1/20 0.55
PDE3A Q14432 1/20 0.55
GSK3A P49840 2/20 0.52
RPS6KA3 P51812 2/20 0.52
MAPK14 Q16539 2/20 0.52
TGM2 P21980 1/20 0.51
PNP P00491 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL23200376 1.00 TAAR1 (0.58) TAAR1HINT1NT5ESTING1PDE3B
SCHEMBL800400 1.00 TAAR1 (0.58) TAAR1HINT1NT5ESTING1PDE3B
SCHEMBL780400 1.00 TAAR1 (0.58) TAAR1HINT1NT5ESTING1PDE3B
SCHEMBL23710671 1.00 TAAR1 (0.58) TAAR1HINT1NT5ESTING1PDE3B
SCHEMBL800874 1.00 TAAR1 (0.58) TAAR1HINT1NT5ESTING1PDE3B
SCHEMBL23710670 1.00 TAAR1 (0.58) TAAR1HINT1NT5ESTING1PDE3B
SCHEMBL7535718 0.92 HINT1 (0.58) TAAR1HINT1NT5ESTING1PDE3B
SCHEMBL7541561 0.89 TAAR1 (0.56) TAAR1HINT1NT5ESTING1PDE3B
SCHEMBL7111072 0.89 HINT1 (0.55) TAAR1HINT1NT5ESTING1PDE3B
SCHEMBL2424287 0.89 HINT1 (0.55) TAAR1HINT1NT5ESTING1PDE3B

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
US-20220290145-A1 Modified RNA Agents with Reduced Off-Target Effect ALNYLAM PHARMACEUTICALS, INC. (US) 2022-09-15 US disclosed
US-20210238595-A1 MODIFIED RNA AGENTS WITH REDUCED OFF-TARGET EFFECT ALNYLAM PHARMACEUTICALS, INC. (US) 2021-08-05 US disclosed
EP-3802827-A1 MODIFIED RNA AGENTS WITH REDUCED OFF-TARGET EFFECT Alnylam Pharmaceuticals, Inc. (US) 2021-04-14 EP disclosed