SCHEMBL7880764

SCHEMBL7880764

CNC(N)=NC(=O)c1cc2c(Cl)ccc(Oc3cc(CN4CCCC4)ccn3)c2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.34
CHEK1 O14757 1/20 0.34
ALK Q9UM73 1/20 0.34
ADRA2C P18825 1/20 0.33
GRIN2B Q13224 2/20 0.33
GRM2 Q14416 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
BDKRB1 P46663 1/20 0.32
RXRB P28702 1/20 0.32
SLC6A4 P31645 1/20 0.32
UTS2R Q9UKP6 1/20 0.32

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
SCHEMBL7881386 0.89 TLR7 (0.36) ACHECHEK1ADRA2CTLR7
SCHEMBL7884615 0.88 LOXL2 (0.38)
SCHEMBL7881391 0.87 HRH3 (0.39) ACHEALDH1A1LMNAGAAHRH3
SCHEMBL7877493 0.86 SLC2A1 (0.36) ALKADRA2CGRIN2BTLR7LMNA
SCHEMBL7879922 0.86 HRH3 (0.40) ACHEALDH1A1LMNAGAAHRH3
SCHEMBL7884720 0.86 KDR (0.35) GAASLC6A4
SCHEMBL7884755 0.85 KDM4E (0.40) ALDH1A1HRH3
SCHEMBL7873361 0.85 HTR2A (0.33) GAASLC6A4
SCHEMBL7882273 0.85 KDM4E (0.41) ALDH1A1HRH3
SCHEMBL7877802 0.84 DYRK1A (0.35) ACHECHEK1ALDH1A1LMNAGAA

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