SCHEMBL29787325

SCHEMBL29787325

C[C@@H]1CCCCN(C2CCN(c3ncc(C(=O)NCc4ncc(F)cc4F)s3)CC2)C1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 6/20 0.71
▸ MAPK8 P45983 5/20 0.39
▸ HRH3 Q9Y5N1 3/20 0.39
▸ ACKR3 P25106 1/20 0.37
▸ ITGB3 P05106 1/20 0.37
▸ ITGA2B P08514 1/20 0.37
▸ ADRA1A P35348 3/20 0.36
▸ TMPRSS15 P98073 1/20 0.35

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
SCHEMBL24183431 1.00 ADRA2C (0.71) ADRA2CMAPK8HRH3ACKR3ITGB3
SCHEMBL24183570 0.97 ADRA2C (0.74) ADRA2CMAPK8HRH3ITGB3ITGA2B
SCHEMBL29787281 0.97 ADRA2C (0.74) ADRA2CMAPK8HRH3ITGB3ITGA2B
SCHEMBL29787296 0.97 ADRA2C (0.73) ADRA2CMAPK8HRH3ACKR3ITGB3
SCHEMBL24183626 0.97 ADRA2C (0.73) ADRA2CMAPK8HRH3ACKR3ITGB3
SCHEMBL24183456 0.91 ADRA2C (0.69) ADRA2CMAPK8HRH3ITGB3ITGA2B
SCHEMBL29787273 0.91 ADRA2C (0.69) ADRA2CMAPK8HRH3ITGB3ITGA2B
SCHEMBL25436996 0.91 ADRA2C (0.69) ADRA2CMAPK8HRH3ITGB3ITGA2B
SCHEMBL25438064 0.91 ADRA2C (0.69) ADRA2CMAPK8HRH3ITGB3ITGA2B
SCHEMBL30397889 0.91 ADRA2C (0.69) ADRA2CMAPK8HRH3ITGB3ITGA2B

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-120025328-A Adrenergic receptor ADRAC2 antagonists 拜耳公司 2025-05-23 — — CN disclosed
CN-120025327-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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