SCHEMBL12874635

SCHEMBL12874635

C#C/C(N)=N\C(=O)c1cc(C)c2nccc(-c3c(F)cc(F)cc3Cl)c2c1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 14/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.33
MAPK14 Q16539 1/20 0.32
GRM2 Q14416 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
SCHEMBL12875043 0.93 HTR5A (0.45) HTR5APTGDR2MAPK14
SCHEMBL9907847 0.90 HTR5A (0.52) HTR5A
SCHEMBL9925362 0.87 HTR5A (0.38) HTR5APTGDR2
SCHEMBL12875077 0.86 HTR5A (0.45) HTR5APTGDR2MAPK14
SCHEMBL12874645 0.85 HTR5A (0.38) HTR5AMAPK14
SCHEMBL9925360 0.85 MAPK14 (0.41) HTR5AMAPK14
SCHEMBL9925361 0.85 HTR5A (0.42) HTR5APTGDR2
SCHEMBL12874646 0.83 GRM2 (0.36) HTR5AMAPK14GRM2
SCHEMBL9907821 0.82 HTR5A (0.56) HTR5AMAPK14
SCHEMBL9907486 0.81 PTGDR2 (0.38) HTR5APTGDR2MAPK14GRM2

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-2011016504-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2011-02-10 WO disclosed