SCHEMBL24529327

SCHEMBL24529327

CC(C)(C)OC(=O)N1CCC(F)(F)CC1/C=N/S

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.34
RXRA P19793 4/20 0.34
NR1H3 Q13133 4/20 0.34
KDM1A O60341 2/20 0.33
EPHX2 P34913 1/20 0.32
HSD11B1 P28845 2/20 0.32
HSD17B10 Q99714 1/20 0.31
EPHX1 P07099 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL22838030 0.88 HSD17B10 (0.34) NR1H2RXRANR1H3KDM1AEPHX2
SCHEMBL15229449 0.84 EPHX2 (0.35) NR1H2RXRANR1H3KDM1AEPHX2
SCHEMBL20404152 0.83 HSD17B10 (0.35) NR1H2RXRANR1H3KDM1AEPHX2
SCHEMBL27181462 0.82
SCHEMBL24529328 0.82
SCHEMBL15054838 0.76 EPHX2 (0.37) KDM1AEPHX2HSD17B10USP2SMN1; SMN2
SCHEMBL16352853 0.76 EPHX2 (0.35) NR1H2RXRANR1H3KDM1AEPHX2
SCHEMBL26151530 0.75 EPHX2 (0.36) NR1H2RXRANR1H3KDM1AEPHX2
SCHEMBL10215488 0.74 HSD17B10 (0.39) KDM1AEPHX2HSD11B1HSD17B10USP2
SCHEMBL2126924 0.74 HSD17B10 (0.45) NR1H2RXRANR1H3KDM1AEPHX2

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-2022132696-A1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-06-23 WO disclosed