SCHEMBL7877798

SCHEMBL7877798

CNC(N)=NC(=O)c1cc2cccc(Oc3cccc(CN4CCCC4)c3)c2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 9/20 0.43
FAAH O00519 1/20 0.41
KCNH2 Q12809 3/20 0.40
HRH2 P25021 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7873777 0.99 CCR8 (0.42) CCR8FAAHKCNH2HRH2HRH3
SCHEMBL7877534 0.92 MMP1 (0.39) HRH3
SCHEMBL7877512 0.91 HRH3 (0.39) HRH3
SCHEMBL7882013 0.90 SLC6A4 (0.40) CCR8KMT2A
SCHEMBL7884755 0.87 KDM4E (0.40) CCR8FAAHKCNH2HRH2HRH3
SCHEMBL7879623 0.87 SLC6A4 (0.40)
SCHEMBL7877493 0.87 SLC2A1 (0.36) HRH2HRH3
SCHEMBL7882273 0.87 KDM4E (0.41) CCR8FAAHKCNH2HRH2HRH3
SCHEMBL7882052 0.86 PLAU (0.38)
SCHEMBL7880762 0.86 CCR8 (0.39) CCR8FAAHHRH2HRH3MEN1

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