SCHEMBL9018725

SCHEMBL9018725

NC(N)=NC(=O)c1cc(C(F)(F)F)c(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 8/20 0.49
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
KCNH2 Q12809 1/20 0.43
NPFFR2 Q9Y5X5 3/20 0.39
NPFFR1 Q9GZQ6 2/20 0.39

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
SCHEMBL9018676 0.90 SLC9A1 (0.49) SLC9A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL7797861 0.89 SLC9A1 (0.47) SLC9A1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL7791916 0.88 SLC9A1 (0.46) SLC9A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL9018710 0.86 SLC9A1 (0.54) SLC9A1KCNH2
SCHEMBL8428729 0.86 SLC9A1 (0.48) SLC9A1KCNH2
SCHEMBL8426434 0.85 SLC9A1 (0.44) SLC9A1KCNH2
Hydrochloric Acid SCHEMBL8337106 0.85 SLC9A1 (0.47) SLC9A1KCNH2
Hydrochloric Acid SCHEMBL8332844 0.84 SLC9A1 (0.43) SLC9A1KCNH2
SCHEMBL9018741 0.83 SLC9A1 (0.44) SLC9A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL8428391 0.83 SLC9A1 (0.44) SLC9A1KCNH2

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-0743301-A2 Benzoylguanidines containing fluorine MERCK PATENT GmbH (DE) 1996-11-20 EP claimed