SCHEMBL7873700

SCHEMBL7873700

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.36
MCL1 Q07820 1/20 0.35
KDM4E B2RXH2 2/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
XDH P47989 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ESR1 P03372 1/20 0.32
MAOA P21397 1/20 0.32
PPARA Q07869 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
SCHEMBL7873752 0.95 CHEK1 (0.36) MAOBMCL1HRH3ACHE
SCHEMBL7881137 0.91 PDGFRB (0.41) MCL1KDM4ETHRATHRBPDGFRB
Hydrochloric Acid SCHEMBL8631082 0.90 PDGFRB (0.40) MCL1KDM4ETHRATHRBPDGFRB
Hydrochloric Acid SCHEMBL7884343 0.90 PDGFRB (0.40) MCL1KDM4ETHRATHRBPDGFRB
SCHEMBL7884504 0.88 HDAC3 (0.38) MAOBKDM4EACHEMAOA
SCHEMBL7877848 0.88 MCL1 (0.37) MCL1KDM4ETHRATHRBPDGFRB
Hydrochloric Acid SCHEMBL8634807 0.87 MCL1 (0.37) MCL1KDM4ETHRATHRBPDGFRB
Hydrochloric Acid SCHEMBL7877311 0.87 MCL1 (0.37) MCL1KDM4ETHRATHRBPDGFRB
SCHEMBL7879900 0.87 MAOB (0.34) MAOBKDM4ETHRATHRBHRH3
SCHEMBL7882296 0.86 MCL1 (0.36) MCL1KDM4ETHRATHRBPDGFRB

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