SCHEMBL29575015

SCHEMBL29575015

O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCC(F)F)cc(Cl)nc21

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 0.57
▸ ADORA1 P30542 20/20 0.57
▸ ADORA2A P29274 13/20 0.52
▸ HTR2C P28335 3/20 0.50
▸ HTR2B P41595 3/20 0.50
▸ TMIGD3 P0DMS9 2/20 0.50
▸ HTR3A P46098 1/20 0.50
▸ ADRA2A P08913 1/20 0.48
▸ TSPO P30536 1/20 0.48

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
SCHEMBL29574294 0.88 ADORA3 (0.52) ADORA3ADORA1ADORA2AHTR2CHTR2B
SCHEMBL29574360 0.87 ADORA3 (0.55) ADORA3ADORA1ADORA2AHTR2CHTR2B
SCHEMBL29573603 0.87 ADORA3 (0.62) ADORA3ADORA1ADORA2AHTR2CHTR2B
SCHEMBL29574004 0.86 ADORA3 (0.69) ADORA3ADORA1ADORA2AHTR2CHTR2B
SCHEMBL29574325 0.85 ADORA3 (0.61) ADORA3ADORA1ADORA2AHTR2CHTR2B
SCHEMBL29573555 0.83 ADORA3 (0.64) ADORA3ADORA1ADORA2AHTR2CHTR2B
SCHEMBL29573308 0.82 ADORA3 (0.78) ADORA3ADORA1ADORA2AHTR2CHTR2B
SCHEMBL29574506 0.82 ADORA3 (0.75) ADORA3ADORA1ADORA2AHTR2CHTR2B
SCHEMBL29574441 0.82 ADORA3 (0.41) ADORA3ADORA1ADORA2A
SCHEMBL29574519 0.81 ADORA3 (0.54) ADORA3ADORA1ADORA2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116457356-A A3 adenosine receptor agonists for use in medicine 生物干预公司 2023-07-18 — — CN disclosed
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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