SCHEMBL29574284

SCHEMBL29574284

CC1(C)O[C@H]2[C@H](n3cnc4c(Cl)cc(Cl)nc43)[C@H]3C[C@@]3(C(=O)O)[C@H]2O1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 1/20 0.53
▸ HTR5A P47898 1/20 0.53
▸ HTR2B P41595 8/20 0.46
▸ TMIGD3 P0DMS9 6/20 0.46
▸ HTR2C P28335 6/20 0.46
▸ ADORA3 P0DMS8 10/20 0.42
▸ ADORA1 P30542 10/20 0.42
▸ HSP90B1 P14625 3/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ ADORA2A P29274 6/20 0.39
▸ TMEM97 Q5BJF2 2/20 0.39
▸ CYP2C9 P11712 1/20 0.38

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
SCHEMBL29573861 0.90 HRH2 (0.53) HRH2HTR5AHTR2BTMIGD3HTR2C
SCHEMBL12269776 0.86 HRH2 (0.59) HRH2HTR5AHTR2BTMIGD3HTR2C
SCHEMBL18353150 0.83 HRH2 (0.51) HRH2HTR5AHTR2BTMIGD3HTR2C
SCHEMBL29573575 0.82 HTR2B (0.47) HRH2HTR5AHTR2BTMIGD3HTR2C
SCHEMBL29573472 0.82 HRH2 (0.42) HRH2HTR5AHTR2BTMIGD3HTR2C
SCHEMBL18358028 0.81 HRH2 (0.51) HRH2HTR5AHTR2BTMIGD3HTR2C
SCHEMBL29573817 0.81 HSP90B1 (0.52) HRH2HTR5AHTR2BTMIGD3HTR2C
SCHEMBL20122141 0.81 HRH2 (0.51) HRH2HTR5AHTR2BTMIGD3HTR2C
SCHEMBL16774130 0.81 HRH2 (0.51) HRH2HTR5AHTR2BTMIGD3HTR2C
SCHEMBL20122139 0.79 HRH2 (0.67) HRH2HTR5AHTR2BTMIGD3HTR2C

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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