SCHEMBL26194469

SCHEMBL26194469

C=CN(CC(C)C)c1ccnc(C)c1N

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.30
▸ NOS2 P35228 1/20 0.30

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
SCHEMBL18526530 0.86 NOS3 (0.38) NOS3NOS2
SCHEMBL24857964 0.76 NOS3 (0.34) NOS3NOS2
SCHEMBL24124442 0.70 — —
SCHEMBL27984799 0.69 ALDH1A1 (0.41) NOS3NOS2
SCHEMBL25057474 0.68 — —
SCHEMBL25057412 0.66 — —
SCHEMBL30073071 0.65 NOS3 (0.36) NOS3NOS2
SCHEMBL27609812 0.64 NOS3 (0.35) NOS3NOS2
SCHEMBL25057543 0.64 HTT (0.33) —
SCHEMBL18526520 0.63 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3621624-B1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME LLC (US) 2023-08-30 — — EP disclosed
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