SCHEMBL23227166

SCHEMBL23227166

O=C(OC[C@@H]1CC(F)(F)[C@H](N2CCCNC2=O)O1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.40
CHRNA5 P30532 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
NPC1 O15118 1/20 0.40
PPM1B O75688 1/20 0.39
PIM1 P11309 2/20 0.37
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CES2 O00748 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 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
SCHEMBL25714044 0.86 CDA (0.42) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL21901828 0.79 POLB (0.42) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL23227183 0.79 POLB (0.42) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL12993288 0.78 NPC1 (0.46) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL23227164 0.76 CDA (0.46)
SCHEMBL23227162 0.76 CDA (0.46)
SCHEMBL12993213 0.74 NPC1 (0.45) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL20756600 0.73 DNMT1 (0.38) NPC1PPM1BPOLBALDH1A1
SCHEMBL20756152 0.73 NPC1 (0.44) CHRNB2CHRNA5CHRNA7CHRNA4NPC1
SCHEMBL28422967 0.73 NPC1 (0.44) CHRNB2CHRNA5CHRNA7CHRNA4NPC1

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-2021071890-A1 2'-DEOXY-2',2'-DIFLUOROTETRAHYDROURIDINES WITH HIGH PURITY AND METHODS OF MAKING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-04-15 WO disclosed