SCHEMBL24933702

SCHEMBL24933702

CN1[C@H](COc2ccc(-c3cc(C=O)c(=O)[nH]c3C(F)(F)F)cc2)COC[C@@H]1C1CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB1 P11230 2/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNB3 Q05901 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
SCHEMBL30240709 0.85 HSD17B2 (0.35)
SCHEMBL24933826 0.85 HSD17B2 (0.35)
SCHEMBL24933550 0.74 HSD17B2 (0.37)
SCHEMBL24933377 0.73 HSD17B2 (0.36)
SCHEMBL24933257 0.71 P2RX3 (0.39)
SCHEMBL24933705 0.71 P2RX3 (0.39)
SCHEMBL24933258 0.69 FPR2 (0.36)
SCHEMBL30240828 0.69 KDM4E (0.41) CHRNB2
SCHEMBL29203341 0.69 KDM4E (0.41) CHRNB2
SCHEMBL29203340 0.69 KDM4E (0.41) CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO disclosed