SCHEMBL7879922

SCHEMBL7879922

CNC(N)=NC(=O)c1cc2c(Cl)ccc(Oc3ccc(CN4CCCCC4)cc3)c2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ACHE P22303 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 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
SCHEMBL7881391 0.99 HRH3 (0.39) HRH3GAALMNAALDH1A1ACHE
SCHEMBL7882273 0.92 KDM4E (0.41) HRH3ALDH1A1KDM4E
SCHEMBL7884755 0.91 KDM4E (0.40) HRH3ALDH1A1KDM4E
SCHEMBL7877802 0.89 DYRK1A (0.35) HRH3GAALMNAALDH1A1ACHE
SCHEMBL7879865 0.89 HRH3 (0.38) HRH3ALDH1A1ACHEKDM4E
SCHEMBL7882235 0.88 SCN9A (0.38) HRH3ALDH1A1ACHEKDM4E
SCHEMBL7873569 0.86 KMT2A (0.40) ALDH1A1ACHEKDM4E
SCHEMBL7880168 0.86 ESRRA (0.36)
SCHEMBL7877512 0.86 HRH3 (0.39) HRH3LMNAALDH1A1KDM4E
SCHEMBL7880764 0.86 ACHE (0.34) HRH3GAALMNAALDH1A1ACHE

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