SCHEMBL29524240

SCHEMBL29524240

CNC(=O)C12CC1C(n1cnc3c(NCc4cccc(I)c4)nc(Cl)nc31)C(O)C2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 1.00
▸ ADORA1 P30542 17/20 1.00
▸ ADORA2A P29274 12/20 1.00
▸ HTR2B P41595 1/20 0.85
▸ ADORA2B P29275 1/20 0.73

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
SCHEMBL19807555 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BADORA2B
SCHEMBL19465000 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BADORA2B
SCHEMBL13388266 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BADORA2B
SCHEMBL29775232 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BADORA2B
SCHEMBL12264931 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BADORA2B
SCHEMBL13388428 0.92 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2B
SCHEMBL958888 0.92 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2B
SCHEMBL3740313 0.92 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2B
SCHEMBL28525054 0.92 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2B
SCHEMBL958891 0.92 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4436567-A1 METHODS OF TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS Astrocyte Pharmaceuticals, Inc. (US) 2024-10-02 — — EP disclosed
EP-3445368-B1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS INC (US) 2024-07-17 — — EP disclosed
WO-2023091791-A1 METHODS OF TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS, INC. (US) 2023-05-25 — — WO disclosed
CN-114903903-A Compounds and methods for treating neurological and cardiovascular conditions 阿斯特罗赛特制药公司 2022-08-16 — — CN disclosed
CN-109310695-B Compounds and methods for treating neurological and cardiovascular conditions 阿斯特罗赛特制药公司 2022-04-01 — — CN disclosed
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