SCHEMBL7879773

SCHEMBL7879773

CC(C)Oc1cc(OCCCN2CCCC2)cc2[nH]c(C(=O)N(C)C(=N)N)cc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.42
DRD2 P14416 1/20 0.38
HRH3 Q9Y5N1 8/20 0.38
HRH1 P35367 1/20 0.38
MAOB P27338 2/20 0.37
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
CHEK2 O96017 1/20 0.36
FLT3 P36888 2/20 0.35
EHMT2 Q96KQ7 1/20 0.35
SPIN1 Q9Y657 1/20 0.35
PDGFRB P09619 1/20 0.35

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
SCHEMBL7873292 0.96 ULK1 (0.43) ULK1DRD2ESR1ESR2CHEK2
SCHEMBL7873204 0.90 HRH3 (0.42) DRD2HRH3CHEK2FLT3EHMT2
SCHEMBL7877790 0.87 FLT3 (0.43) DRD2HRH3HRH1MAOBCHEK2
SCHEMBL7884832 0.86 ULK1 (0.47) ULK1
SCHEMBL7877823 0.86 DRD3 (0.46) DRD2FLT3PDGFRB
Hydrochloric Acid SCHEMBL7873748 0.86 ULK1 (0.47) ULK1
SCHEMBL7881358 0.86 ULK1 (0.47) ULK1HRH3CHEK2FLT3PDGFRB
SCHEMBL7881363 0.85 ULK1 (0.48) ULK1
Hydrochloric Acid SCHEMBL7877777 0.85 ULK1 (0.46) ULK1HRH3CHEK2FLT3PDGFRB
SCHEMBL7880064 0.85 ULK1 (0.47) ULK1DRD2HRH3HRH1FLT3

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