SCHEMBL7879900

SCHEMBL7879900

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
ALK Q9UM73 2/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
XDH P47989 1/20 0.32
AR P10275 4/20 0.31
KDM4E B2RXH2 1/20 0.31
RHEB Q15382 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
AGER Q15109 1/20 0.31

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
SCHEMBL7881345 0.95 ALK (0.36) MAOBTHRATHRBHRH3ALK
Hydrochloric Acid SCHEMBL7877582 0.94 ALK (0.36) MAOBTHRATHRBHRH3ALK
SCHEMBL7880740 0.92 PDGFRB (0.38) THRATHRBKDM4ERHEBPDGFRB
Hydrochloric Acid SCHEMBL8629165 0.91 PDGFRB (0.38) THRATHRBKDM4ERHEBPDGFRB
Hydrochloric Acid SCHEMBL7881916 0.91 PDGFRB (0.38) THRATHRBKDM4ERHEBPDGFRB
SCHEMBL7884534 0.89 RHEB (0.33) THRATHRBARRHEB
SCHEMBL7879475 0.89 FLT3 (0.38) THRATHRBHRH3ARKDM4E
Hydrochloric Acid SCHEMBL7878224 0.88 FLT3 (0.37) THRATHRBHRH3ARKDM4E
Hydrochloric Acid SCHEMBL8631563 0.88 RHEB (0.32) THRATHRBARRHEB
Hydrochloric Acid SCHEMBL7873342 0.88 RHEB (0.32) THRATHRBARRHEB

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