SCHEMBL7873704

SCHEMBL7873704

CCN(CC)CCCOc1cc(C)c2cc(C(=O)N=C(N)NC)[nH]c2c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.38
KDM4E B2RXH2 2/20 0.35
HRH3 Q9Y5N1 2/20 0.34
PPARA Q07869 1/20 0.33
XDH P47989 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
ESR1 P03372 1/20 0.32
MAOA P21397 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL7873756 0.95 MAOB (0.37) MAOBKDM4EHRH3HDAC6ACHE
SCHEMBL7881142 0.90 PDGFRB (0.39) KDM4EHRH3MAOAALDH1A1
Hydrochloric Acid SCHEMBL8631088 0.89 PDGFRB (0.39) KDM4EHRH3MAOAALDH1A1
Hydrochloric Acid SCHEMBL7884347 0.89 PDGFRB (0.39) KDM4EHRH3MAOAALDH1A1
SCHEMBL7884516 0.89 KMT2A (0.40) MAOBKDM4EHDAC6ALDH1A1
SCHEMBL7879905 0.88 MAOB (0.36) MAOBKDM4EHRH3XDHHDAC6
SCHEMBL7877853 0.87 KDM4E (0.36) KDM4EPPARA
SCHEMBL7884737 0.86 ULK1 (0.46) MAOBHRH3XDHHDAC6ALDH1A1
Hydrochloric Acid SCHEMBL8634815 0.86 KDM4E (0.35) KDM4EPPARA
Hydrochloric Acid SCHEMBL7877315 0.86 KDM4E (0.35) KDM4EPPARA

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 5 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-0622356-B1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMA (JP) 1998-07-01 EP disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed
EP-0622356-A1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-02 EP disclosed