SCHEMBL16503546

SCHEMBL16503546

C=C(N=O)c1ccc2cccc(-c3c(O)cc(F)cc3F)c2c1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 2/20 0.32
HSD17B14 Q9BPX1 2/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30

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
SCHEMBL7917826 0.83 PLA2G2D (0.46) HTR5AHSD17B14CNR1CNR2
SCHEMBL7918750 0.79 HTR5A (0.54) HTR5A
SCHEMBL7915822 0.74 PLA2G2D (0.50) HTR5A
SCHEMBL7908906 0.73 PLAU (0.34) HTR5A
SCHEMBL7918472 0.72 HSD17B14 (0.36) HSD17B14HSD17B1HSD17B2
SCHEMBL7915836 0.72 GRM2 (0.35) HTR5A
SCHEMBL16494834 0.71 HTR5A (0.61) HTR5A
SCHEMBL16502448 0.70 MAPT (0.43) HTR5A
SCHEMBL16502418 0.69 TTR (0.48) HSD17B14
SCHEMBL16502660 0.69 PLA2G2D (0.45) HTR5A

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
EP-2394987-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-14 EP disclosed