SCHEMBL7879694

SCHEMBL7879694

CNC(N)=NC(=O)c1cc2c(OC(C)C)ccc(OCCCN3CCCC3)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
HRH1 P35367 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
EHMT2 Q96KQ7 3/20 0.38
MAOB P27338 2/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
SPIN1 Q9Y657 1/20 0.38
EHMT1 Q9H9B1 2/20 0.38
PDGFRB P09619 2/20 0.37
KDR P35968 1/20 0.37
CACNA1F O60840 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 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
SCHEMBL7877538 0.90 EHMT2 (0.47) ALDH1A1KDM4EEHMT2EHMT1
SCHEMBL7879431 0.88 KDM4E (0.46) ALDH1A1KDM4EL3MBTL1MAPTHRH3
SCHEMBL7877510 0.86 KDM4E (0.34) ALDH1A1KDM4EMAPTPDGFRBMEN1
Hydrochloric Acid SCHEMBL7881266 0.85 KDM4E (0.33) ALDH1A1KDM4EMAPTPDGFRB
SCHEMBL7873523 0.84 DRD2 (0.44) ALDH1A1KDM4EL3MBTL1MAPTESR1
SCHEMBL7884650 0.84 KDM4E (0.38) ALDH1A1KDM4EHRH3PDGFRBKDR
SCHEMBL7879778 0.83 ULK1 (0.45) ESR1ESR2HRH1HRH3MAOB
Hydrochloric Acid SCHEMBL7873819 0.83 MEN1 (0.43) ALDH1A1KDM4EL3MBTL1TSHRHTT
SCHEMBL7877646 0.82 MAOB (0.36) ALDH1A1KDM4EHRH3MAOBKDR
Hydrochloric Acid SCHEMBL8626921 0.82 CACNA1F (0.41) KDM4EKDRCACNA1FCACNA1DCACNA1S

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