SCHEMBL25436996

SCHEMBL25436996

C[C@@H]1CCCN(C2CCN(c3ncc(C(=O)NCc4ncc(F)cc4F)s3)CC2)CC1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 6/20 0.69
▸ HRH3 Q9Y5N1 3/20 0.41
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ MAPK8 P45983 5/20 0.37
▸ TMPRSS15 P98073 1/20 0.36
▸ HDAC3 O15379 2/20 0.36
▸ HDAC4 P56524 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC7 Q8WUI4 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC10 Q969S8 2/20 0.36
▸ HDAC11 Q96DB2 2/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ HDAC9 Q9UKV0 2/20 0.36
▸ HDAC5 Q9UQL6 2/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL24183456 1.00 ADRA2C (0.69) ADRA2CHRH3ITGB3ITGA2BMAPK8
SCHEMBL29787288 1.00 ADRA2C (0.69) ADRA2CHRH3ITGB3ITGA2BMAPK8
SCHEMBL30397889 1.00 ADRA2C (0.69) ADRA2CHRH3ITGB3ITGA2BMAPK8
SCHEMBL25438064 1.00 ADRA2C (0.69) ADRA2CHRH3ITGB3ITGA2BMAPK8
SCHEMBL29787273 1.00 ADRA2C (0.69) ADRA2CHRH3ITGB3ITGA2BMAPK8
SCHEMBL24183570 0.93 ADRA2C (0.74) ADRA2CHRH3ITGB3ITGA2BMAPK8
SCHEMBL29787281 0.93 ADRA2C (0.74) ADRA2CHRH3ITGB3ITGA2BMAPK8
SCHEMBL24183626 0.93 ADRA2C (0.73) ADRA2CHRH3ITGB3ITGA2BMAPK8
SCHEMBL29787296 0.93 ADRA2C (0.73) ADRA2CHRH3ITGB3ITGA2BMAPK8
SCHEMBL24183468 0.91 ADRA2C (0.73) ADRA2CHRH3ITGB3ITGA2BMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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