SCHEMBL7879675

SCHEMBL7879675

CNC(N)=NC(=O)c1cc2c(Cl)cc(Oc3ccc(CN4CCCC4)cc3)cc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.39
KDR P35968 1/20 0.38
GAA P10253 1/20 0.37
ACHE P22303 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
CHEK2 O96017 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CHEK1 O14757 1/20 0.36
RHEB Q15382 1/20 0.36
HTR3A P46098 1/20 0.36
LTA4H P09960 1/20 0.35

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
SCHEMBL7877816 0.99 HRH3 (0.41) HRH3KDRGAAACHEMAOA
SCHEMBL7884249 0.91 FAAH (0.42) KDM4EALDH1A1
SCHEMBL7881375 0.91 FAAH (0.41) HRH3KDM4EALDH1A1HTR3A
SCHEMBL7877885 0.89 DYRK1A (0.36) KDRACHECHEK1
SCHEMBL7881044 0.89 SCN9A (0.38) HRH3KDRGAAACHEMAOA
SCHEMBL7882171 0.88 HRH3 (0.38) HRH3KDRGAAACHEMAOA
SCHEMBL7880060 0.88 CHEK1 (0.36) HRH3KDRACHEMAOAMAOB
SCHEMBL7880874 0.87 RXFP1 (0.42) HRH3ACHEKDM4EMAPTCHEK2
SCHEMBL7879412 0.87 RHEB (0.39) CHEK2RHEB
SCHEMBL7881922 0.87 KDR (0.38) KDRACHECHEK1

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