SCHEMBL7879778

SCHEMBL7879778

CNC(N)=NC(=O)c1cc2c(OC(C)C)cc(OCCCN3CCCC3)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.45
HRH3 Q9Y5N1 7/20 0.40
HRH1 P35367 1/20 0.40
MAOB P27338 4/20 0.39
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
DRD2 P14416 1/20 0.38
MET P08581 2/20 0.38
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL7873297 0.96 ULK1 (0.45) ULK1ESR1ESR2DRD2SRC
SCHEMBL7873207 0.90 DRD3 (0.41) HRH3MAOBDRD2
SCHEMBL7952496 0.87 FLT3 (0.43) HRH3HRH1MAOBESR1ESR2
SCHEMBL7884843 0.86 ULK1 (0.50) ULK1
SCHEMBL7877830 0.86 DRD3 (0.46) DRD2
Hydrochloric Acid SCHEMBL7873753 0.86 ULK1 (0.49) ULK1
SCHEMBL7881369 0.85 ULK1 (0.51) ULK1
SCHEMBL7884761 0.84 AURKA (0.39) HRH3HRH1MAOBESR1ESR2
SCHEMBL7881364 0.84 ULK1 (0.47) ULK1KDR
SCHEMBL7879694 0.83 ALDH1A1 (0.40) HRH3HRH1MAOBESR1ESR2

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