SCHEMBL24933705

SCHEMBL24933705

CN1CCOC[C@H]1COc1ccc(-c2cc(C(N)=O)c(=O)[nH]c2C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 6/20 0.39
P2RX2 Q9UBL9 6/20 0.39
HSD17B2 P37059 8/20 0.38
HSD17B1 P14061 7/20 0.38
FPR2 P25090 1/20 0.37
SCN9A Q15858 1/20 0.37
TBK1 Q9UHD2 1/20 0.36
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
FKBP1A P62942 1/20 0.34
TIPARP Q7Z3E1 1/20 0.34
IRAK4 Q9NWZ3 1/20 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
SCHEMBL24933257 1.00 P2RX3 (0.39) P2RX3P2RX2HSD17B2HSD17B1FPR2
SCHEMBL24933854 0.91 FPR2 (0.37) HSD17B2HSD17B1FPR2SCN9ATBK1
SCHEMBL24933258 0.88 FPR2 (0.36) HSD17B2HSD17B1FPR2SCN9ATBK1
SCHEMBL24933404 0.87 CHRNB4 (0.46)
SCHEMBL24933550 0.86 HSD17B2 (0.37) HSD17B2HSD17B1IRAK4
SCHEMBL24933011 0.86 P2RX3 (0.39) P2RX3P2RX2HSD17B2HSD17B1SCN9A
SCHEMBL30240709 0.86 HSD17B2 (0.35) HSD17B2HSD17B1FPR2SCN9ATBK1
SCHEMBL24933826 0.86 HSD17B2 (0.35) HSD17B2HSD17B1FPR2SCN9ATBK1
SCHEMBL24933004 0.85 IRAK4 (0.44) HSD17B2HSD17B1SCN9AIRAK4
SCHEMBL24933220 0.85 HSD17B2 (0.36) HSD17B2HSD17B1TBK1

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