SCHEMBL29316525

SCHEMBL29316525

C[C@]1(CO)C[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 17/20 0.71
▸ ADORA2A P29274 10/20 0.69
▸ ADORA1 P30542 10/20 0.69
▸ ADORA2B P29275 2/20 0.69
▸ PPARG P37231 2/20 0.64
▸ PPARD Q03181 2/20 0.64

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
SCHEMBL19503865 0.86 ADORA3 (0.76) ADORA3ADORA2AADORA1ADORA2BPPARG
SCHEMBL7074656 0.82 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2BPPARG
SCHEMBL19807419 0.82 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2BPPARG
SCHEMBL19459779 0.82 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2BPPARG
SCHEMBL4350082 0.81 ADORA3 (0.73) ADORA3ADORA2AADORA1ADORA2BPPARG
SCHEMBL19503344 0.80 ADORA3 (0.64) ADORA3ADORA2AADORA1
SCHEMBL4354401 0.80 ADORA3 (0.70) ADORA3ADORA2AADORA1ADORA2BPPARG
SCHEMBL4350110 0.79 ADORA3 (0.66) ADORA3ADORA2AADORA1PPARGPPARD
SCHEMBL5369601 0.79 ADORA3 (0.75) ADORA3ADORA2AADORA1ADORA2BPPARG
SCHEMBL14325238 0.79 ADORA3 (0.75) ADORA3ADORA2AADORA1ADORA2BPPARG

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-3445368-B1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS INC (US) 2024-07-17 — — EP disclosed
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