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SCHEMBL19464994

SCHEMBL19464994

CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(I)nc31)[C@@H](O)C2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 19/20 1.00
▸ ADORA1 P30542 13/20 1.00
▸ ADORA2A P29274 9/20 0.87
▸ HTR2B P41595 1/20 0.87
▸ TMIGD3 P0DMS9 1/20 0.79

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
SCHEMBL19464997 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL22933145 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL20122154 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL16774394 1.00 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL3740313 0.93 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL13388428 0.93 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL958888 0.93 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL29524384 0.93 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL958891 0.93 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BTMIGD3
SCHEMBL28525054 0.93 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BTMIGD3

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
US-9789131-B1 Compounds and methods for treating neurological and cardiovascular conditions ASTROCYTE PHARMACEUTICALS, INC. (US) 2017-10-17 — — US disclosed
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