SCHEMBL30359072

SCHEMBL30359072

O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCC[C@@]4(C3)CC4(F)F)CC2)s1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 6/20 0.65
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ MAPK8 P45983 5/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ ACKR3 P25106 2/20 0.35
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ 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
SCHEMBL29787279 1.00 ADRA2C (0.65) ADRA2CITGB3ITGA2BMAPK8HRH3
SCHEMBL24183492 1.00 ADRA2C (0.65) ADRA2CITGB3ITGA2BMAPK8HRH3
SCHEMBL25124336 0.98 ADRA2C (0.66) ADRA2CITGB3ITGA2BMAPK8HRH3
SCHEMBL29787271 0.91 ADRA2C (0.68) ADRA2CITGB3ITGA2BMAPK8HRH3
SCHEMBL24183657 0.91 ADRA2C (0.68) ADRA2CITGB3ITGA2BMAPK8HRH3
SCHEMBL24183576 0.90 ADRA2C (0.79) ADRA2CITGB3ITGA2BMAPK8HRH3
SCHEMBL29787265 0.89 ADRA2C (0.76) ADRA2CITGB3ITGA2BMAPK8HRH3
SCHEMBL25124266 0.89 ADRA2C (0.76) ADRA2CITGB3ITGA2BMAPK8HRH3
SCHEMBL24183679 0.89 ADRA2C (0.84) ADRA2CMAPK8TMPRSS15
SCHEMBL24183684 0.88 ADRA2C (0.70) ADRA2CITGB3ITGA2BMAPK8HRH3

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
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
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
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