SCHEMBL25248973

SCHEMBL25248973

O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCC[C@@H](OCC4CCC4)C3)CC2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 6/20 1.00
▸ ADRA1A P35348 2/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.39
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ MAPK8 P45983 6/20 0.36
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ TMPRSS15 P98073 2/20 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
SCHEMBL30359036 1.00 ADRA2C (1.00) ADRA2CADRA1AHRH3ITGB3ITGA2B
SCHEMBL24183497 1.00 ADRA2C (1.00) ADRA2CADRA1AHRH3ITGB3ITGA2B
SCHEMBL24183552 0.98 ADRA2C (0.96) ADRA2CADRA1AHRH3ITGB3ITGA2B
SCHEMBL24183494 0.98 ADRA2C (0.96) ADRA2CADRA1AHRH3ITGB3ITGA2B
SCHEMBL28997133 0.95 ADRA2C (1.00) ADRA2CADRA1AHRH3ITGB3ITGA2B
SCHEMBL25247690 0.95 ADRA2C (1.00) ADRA2CADRA1AHRH3ITGB3ITGA2B
SCHEMBL24183465 0.95 ADRA2C (1.00) ADRA2CADRA1AHRH3ITGB3ITGA2B
SCHEMBL24183464 0.93 ADRA2C (0.86) ADRA2CADRA1AHRH3ITGB3ITGA2B
SCHEMBL24183491 0.93 ADRA2C (0.86) ADRA2CADRA1AHRH3ITGB3ITGA2B
SCHEMBL24183436 0.93 ADRA2C (0.86) ADRA2CADRA1AHRH3ITGB3ITGA2B

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 11 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
CN-118434414-A Combinations of alpha 2-adrenoceptor subtype C (alpha-2C) antagonists and muscarinic receptor antagonists for the treatment of sleep apnea 拜耳公司 2024-08-02 — — CN disclosed
WO-2023118123-A1 COMBINATION OF AN Α2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONIST WITH A NOREPINEPHRINE REUPTAKE INHIBITOR FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2023-06-29 — — WO disclosed
WO-2023118098-A1 COMBINATION OF AN α2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS WITH A MUSCARINIC RECEPTOR ANTAGONIST FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2023-06-29 — — WO 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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