SCHEMBL7879905

SCHEMBL7879905

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.36
HRH3 Q9Y5N1 2/20 0.33
ALK Q9UM73 2/20 0.33
AR P10275 2/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
EGFR P00533 1/20 0.32
BRAF P15056 1/20 0.32
KDR P35968 1/20 0.32
XDH P47989 1/20 0.32
GALR3 O60755 2/20 0.31
DRD5 P21918 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
RHEB Q15382 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL7881348 0.95 ALK (0.36) MAOBHRH3ALKARHTT
Hydrochloric Acid SCHEMBL7877583 0.94 ALK (0.36) MAOBHRH3ALKARHTT
SCHEMBL7880744 0.91 PDGFRB (0.38) THRATHRBKDRKDM4ERHEB
Hydrochloric Acid SCHEMBL7882179 0.90 PDGFRB (0.37) THRATHRBKDRKDM4ERHEB
Hydrochloric Acid SCHEMBL27322403 0.90 PDGFRB (0.37) THRATHRBKDRKDM4ERHEB
SCHEMBL7879479 0.88 FLT3 (0.37) HRH3ARTHRATHRBKDR
SCHEMBL7873704 0.88 MAOB (0.38) MAOBHRH3XDHKDM4EHDAC6
SCHEMBL7884539 0.88 AURKA (0.34) ARRHEB
Hydrochloric Acid SCHEMBL7878231 0.87 FLT3 (0.37) HRH3ARTHRATHRBKDR
Hydrochloric Acid SCHEMBL7873350 0.87 AURKA (0.33) ARRHEB

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