SCHEMBL29573594

SCHEMBL29573594

CC1(C)O[C@@H]2[C@@H]3C[C@@H]3[C@@H](n3cnc4c(NCC(F)F)nc(C#CC5CC5)nc43)[C@@H]2O1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 0.44
▸ ADORA2A P29274 4/20 0.44
▸ ADORA1 P30542 3/20 0.41

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
SCHEMBL29573447 0.90 ADORA3 (0.55) ADORA3ADORA2AADORA1
SCHEMBL29574455 0.84 ADORA3 (0.55) ADORA3ADORA2AADORA1
SCHEMBL29573934 0.84 ADORA3 (0.62) ADORA3ADORA2AADORA1
SCHEMBL29575031 0.83 ADORA3 (0.46) ADORA3ADORA2AADORA1
SCHEMBL29574451 0.76 ADORA3 (0.36) ADORA3ADORA2AADORA1
SCHEMBL29574441 0.76 ADORA3 (0.41) ADORA3ADORA2AADORA1
SCHEMBL29573281 0.75 ADORA3 (0.40) ADORA3ADORA2AADORA1
SCHEMBL29573618 0.75 ADORA3 (0.39) ADORA3ADORA2AADORA1
SCHEMBL29573460 0.75 ADORA3 (0.39) ADORA3ADORA2AADORA1
SCHEMBL29573550 0.73 ADORA3 (0.74) ADORA3ADORA2AADORA1

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-4196219-A1 A3 ADENOSINE RECEPTOR AGONISTS FOR USE IN MEDICINE Biointervene, Inc. (US) 2023-06-21 — — EP disclosed
WO-2022040241-A1 A3 ADENOSINE RECEPTOR AGONISTS FOR USE IN MEDICINE BIOINTERVENE, INC. (US) 2022-02-24 — — WO disclosed
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