SCHEMBL7877830

SCHEMBL7877830

CNC(N)=NC(=O)c1cc2c(OC)cc(OCCN3CCCC3)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 10/20 0.46
DRD2 P14416 6/20 0.46
FLT3 P36888 3/20 0.44
PDGFRB P09619 2/20 0.41
PDGFRA P16234 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
ACHE P22303 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2C P18825 1/20 0.38
HTR2B P41595 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
MCHR1 Q99705 1/20 0.37

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
SCHEMBL7873207 0.95 DRD3 (0.41) DRD3DRD2FLT3ACHEHTR1A
SCHEMBL7873297 0.90 ULK1 (0.45) DRD3DRD2FLT3PDGFRBPDGFRA
SCHEMBL7882051 0.89 FLT3 (0.48) DRD3DRD2FLT3PDGFRBPDGFRA
Hydrochloric Acid SCHEMBL7877871 0.87 DRD3 (0.43) DRD3DRD2FLT3PDGFRBPDGFRA
SCHEMBL7884296 0.86 KDR (0.40) DRD3DRD2FLT3PDGFRBPDGFRA
SCHEMBL7879778 0.86 ULK1 (0.45) DRD2
Hydrochloric Acid SCHEMBL7882122 0.85 KDR (0.40) DRD3DRD2FLT3PDGFRBPDGFRA
SCHEMBL7881025 0.85 KMT2A (0.41) DRD3DRD2KDM4EMEN1POLB
SCHEMBL7873365 0.84 HDAC3 (0.42) DRD3DRD2KDM4EMEN1POLB
SCHEMBL7952496 0.84 FLT3 (0.43) DRD3DRD2FLT3PDGFRBKDM4E

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 5 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-0622356-B1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMA (JP) 1998-07-01 EP disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed
EP-0622356-A1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-02 EP disclosed