SCHEMBL25426753

SCHEMBL25426753

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

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 6/20 0.84
▸ HRH3 Q9Y5N1 1/20 0.41
▸ TMPRSS15 P98073 2/20 0.37
▸ MAPK8 P45983 4/20 0.37
▸ CCR4 P51679 1/20 0.37
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ ACKR3 P25106 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL29787322 1.00 ADRA2C (0.84) ADRA2CHRH3TMPRSS15MAPK8CCR4
SCHEMBL24183555 1.00 ADRA2C (0.84) ADRA2CHRH3TMPRSS15MAPK8CCR4
SCHEMBL29787244 1.00 ADRA2C (0.84) ADRA2CHRH3TMPRSS15MAPK8CCR4
SCHEMBL30398366 1.00 ADRA2C (0.84) ADRA2CHRH3TMPRSS15MAPK8CCR4
SCHEMBL30359158 1.00 ADRA2C (0.84) ADRA2CHRH3TMPRSS15MAPK8CCR4
SCHEMBL25426308 1.00 ADRA2C (0.84) ADRA2CHRH3TMPRSS15MAPK8CCR4
SCHEMBL24183509 0.94 ADRA2C (0.80) ADRA2CHRH3TMPRSS15MAPK8ITGB3
SCHEMBL30380032 0.94 ADRA2C (0.80) ADRA2CHRH3TMPRSS15MAPK8ITGB3
SCHEMBL24183463 0.93 ADRA2C (0.83) ADRA2CHRH3TMPRSS15MAPK8ITGB3
SCHEMBL29787254 0.93 ADRA2C (0.83) ADRA2CHRH3TMPRSS15MAPK8ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
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
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