SCHEMBL29573618

SCHEMBL29573618

CC1(C)O[C@@H]2[C@@H]3C[C@@H]3[C@@H](n3cnc4c(NCC(F)F)c(F)c(Cl)nc43)[C@@H]2O1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 18/20 0.39
▸ ADORA1 P30542 17/20 0.39
▸ ADORA2A P29274 10/20 0.37
▸ HRH2 P25021 1/20 0.34
▸ HTR5A P47898 1/20 0.34
▸ TMIGD3 P0DMS9 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ HTR2B P41595 2/20 0.34
▸ HSP90B1 P14625 1/20 0.34
▸ HTR3A P46098 1/20 0.33

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
SCHEMBL29573460 0.91 ADORA3 (0.39) ADORA3ADORA1ADORA2AHRH2HTR5A
SCHEMBL29574455 0.84 ADORA3 (0.55) ADORA3ADORA1ADORA2ATMIGD3HTR2C
SCHEMBL29574441 0.83 ADORA3 (0.41) ADORA3ADORA1ADORA2A
SCHEMBL29574519 0.82 ADORA3 (0.54) ADORA3ADORA1ADORA2ATMIGD3HTR2C
SCHEMBL29573572 0.80 ADORA3 (0.48) ADORA3ADORA1ADORA2AHRH2HTR5A
SCHEMBL29574451 0.80 ADORA3 (0.36) ADORA3ADORA1ADORA2AHRH2HTR5A
SCHEMBL29575031 0.80 ADORA3 (0.46) ADORA3ADORA1ADORA2ATMIGD3HTR2C
SCHEMBL29573288 0.76 ADORA3 (0.47) ADORA3ADORA1ADORA2AHRH2HTR5A
SCHEMBL23201580 0.75 ADORA3 (0.47) ADORA3ADORA1ADORA2ATMIGD3HTR2C
SCHEMBL15935852 0.75 ADORA3 (0.47) ADORA3ADORA1ADORA2ATMIGD3HTR2C

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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