SCHEMBL7879832

SCHEMBL7879832

CNC(N)=NC(=O)c1cc2c(Cl)cc(Oc3ccc(CN4CCCC4)o3)cc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
NPSR1 Q6W5P4 3/20 0.33
MAPT P10636 3/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KDR P35968 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
RHEB Q15382 2/20 0.31
THRB P10828 1/20 0.31
MAOA P21397 1/20 0.31
ACHE P22303 1/20 0.31
MAOB P27338 1/20 0.31
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL7877831 0.89 KDM4E (0.34) KDM4EGAANPSR1ALDH1A1HRH3
SCHEMBL7879643 0.87 ALDH1A1 (0.34) MAPTALDH1A1RHEB
SCHEMBL7879675 0.86 HRH3 (0.39) KDM4EGAAMAPTALDH1A1KDR
SCHEMBL7877816 0.85 HRH3 (0.41) KDM4EGAAALDH1A1KDRHRH3
SCHEMBL7880796 0.84 ALDH1A1 (0.32) MAPTALDH1A1RHEBACHE
SCHEMBL7879715 0.84 KDR (0.32) KDM4EGAANPSR1MAPTALDH1A1
SCHEMBL7884288 0.83 MEN1 (0.38) KDM4EALDH1A1KDRRHEB
SCHEMBL7878025 0.83 KDM4E (0.35) KDM4EGAANPSR1ALDH1A1HRH3
SCHEMBL7884249 0.83 FAAH (0.42) KDM4EALDH1A1
SCHEMBL7879914 0.83 ALDH1A1 (0.31) MAPTALDH1A1RHEB

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