SCHEMBL29787254

SCHEMBL29787254

O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCC[C@@H](COCC4CC4)C3)CC2)s1

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 6/20 0.83
▸ HRH3 Q9Y5N1 1/20 0.39
▸ MAPK8 P45983 5/20 0.36
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ TMPRSS15 P98073 4/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL24183463 1.00 ADRA2C (0.83) ADRA2CHRH3MAPK8ITGB3ITGA2B
SCHEMBL24183535 0.93 ADRA2C (0.78) ADRA2CHRH3MAPK8ITGB3ITGA2B
SCHEMBL29787285 0.93 ADRA2C (0.78) ADRA2CHRH3MAPK8ITGB3ITGA2B
SCHEMBL29787322 0.93 ADRA2C (0.84) ADRA2CHRH3MAPK8ITGB3ITGA2B
SCHEMBL24183555 0.93 ADRA2C (0.84) ADRA2CHRH3MAPK8ITGB3ITGA2B
SCHEMBL30398366 0.93 ADRA2C (0.84) ADRA2CHRH3MAPK8ITGB3ITGA2B
SCHEMBL25426308 0.93 ADRA2C (0.84) ADRA2CHRH3MAPK8ITGB3ITGA2B
SCHEMBL25426753 0.93 ADRA2C (0.84) ADRA2CHRH3MAPK8ITGB3ITGA2B
SCHEMBL29787244 0.93 ADRA2C (0.84) ADRA2CHRH3MAPK8ITGB3ITGA2B
SCHEMBL30359158 0.93 ADRA2C (0.84) ADRA2CHRH3MAPK8ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120136863-A Adrenergic receptor ADRAC2 antagonists 拜耳公司 2025-06-13 — — CN disclosed
CN-120025327-A Adrenergic receptor ADRAC2 antagonists 拜耳公司 2025-05-23 — — CN disclosed
CN-120025328-A Adrenergic receptor ADRAC2 antagonists 拜耳公司 2025-05-23 — — CN disclosed
CN-114929694-B Adrenergic receptor ADRAC2 antagonists 拜耳公司 2025-02-07 — — CN disclosed
EP-4175954-A1 COMBINATION OF AN ALPHA2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONIST WITH A TASK1/3 CHANNEL BLOCKER FOR THE TREATMENT OF SLEEP APNEA Bayer Aktiengesellschaft (DE) 2023-05-10 — — EP disclosed
CN-116057057-A Conjugates of alpha 2-adrenoceptor subtype C (alpha-2C) antagonists and TASK1/3 channel blockers for the treatment of sleep apnea 拜耳公司 2023-05-02 — — CN disclosed
CN-114929694-A Adrenergic receptor ADRAC2 antagonists 拜耳公司 2022-08-19 — — CN disclosed
EP-4021905-A1 INHIBITORS OF ADRENORECEPTOR ADRAC2 Bayer Aktiengesellschaft (DE) 2022-07-06 — — EP disclosed
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