SCHEMBL25425779

SCHEMBL25425779

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

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 6/20 0.79
▸ HRH3 Q9Y5N1 1/20 0.37
▸ TMPRSS15 P98073 2/20 0.35
▸ MAPK8 P45983 5/20 0.35
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ ACKR3 P25106 2/20 0.34

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
SCHEMBL29787277 1.00 ADRA2C (0.79) ADRA2CHRH3TMPRSS15MAPK8ITGB3
SCHEMBL24183645 1.00 ADRA2C (0.79) ADRA2CHRH3TMPRSS15MAPK8ITGB3
SCHEMBL30398367 1.00 ADRA2C (0.79) ADRA2CHRH3TMPRSS15MAPK8ITGB3
SCHEMBL29787312 1.00 ADRA2C (0.79) ADRA2CHRH3TMPRSS15MAPK8ITGB3
SCHEMBL25437600 1.00 ADRA2C (0.79) ADRA2CHRH3TMPRSS15MAPK8ITGB3
SCHEMBL29787323 1.00 ADRA2C (0.79) ADRA2CHRH3TMPRSS15MAPK8ITGB3
SCHEMBL24183463 0.93 ADRA2C (0.83) ADRA2CHRH3TMPRSS15MAPK8ITGB3
SCHEMBL29787254 0.93 ADRA2C (0.83) ADRA2CHRH3TMPRSS15MAPK8ITGB3
SCHEMBL24183636 0.91 ADRA2C (0.74) ADRA2CHRH3TMPRSS15MAPK8ITGB3
SCHEMBL29787289 0.91 ADRA2C (0.74) 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 2 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
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