SCHEMBL7879623

SCHEMBL7879623

CNC(N)=NC(=O)c1cc2cccc(Oc3ccnc(CN4CCCC4)c3)c2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.40
FGFR1 P11362 1/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
HRH4 Q9H3N8 3/20 0.34
SCN9A Q15858 3/20 0.34
KDR P35968 1/20 0.33
SLC2A1 P11166 1/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL7879703 0.87 TP53 (0.34) DRD2DRD3KDRLMNATP53
SCHEMBL7877798 0.87 CCR8 (0.43)
SCHEMBL7884720 0.86 KDR (0.35) SLC6A4SCN9AKDR
SCHEMBL7873777 0.86 CCR8 (0.42)
SCHEMBL7877534 0.86 MMP1 (0.39) DRD2DRD3HRH4SCN9ASLC2A1
SCHEMBL7877493 0.85 SLC2A1 (0.36) SLC6A4DRD2DRD3HRH4SLC2A1
SCHEMBL7881343 0.85 MAPK14 (0.37) SLC6A4SCN9AKDR
SCHEMBL7877512 0.85 HRH3 (0.39) DRD2DRD3SCN9ALMNAMAPT
SCHEMBL7881989 0.84 FLT3 (0.40) SLC6A4FGFR1DRD2DRD3KDR
SCHEMBL7882013 0.84 SLC6A4 (0.40) SLC6A4DRD2DRD3HRH4IDO1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248772-B1 HYPOTENSIVE AGENTS; ANTIARRHYTHMIA AGENTS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2001-06-19 US disclosed
US-6169107-B1 USEFUL FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY INCREASED SODIUM/PROTON (NA.SUP.+ /H.SUP.+) EXCHANGER ACTIVITY, FOR EXAMPLE, HYPERTENSION, ARRHYTHMIA, ANGINA PECTORIS, CARDIAC HYPERTROPHY, DIABETES MELLITUS SUMITOMO PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed