SCHEMBL7877633

SCHEMBL7877633

CNC(N)=NC(=O)c1cc2c(C(F)(F)F)ccc(Oc3cccc(CN(C)C)c3)c2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
F2 P00734 2/20 0.36
F3 P13726 2/20 0.36
F10 P00742 1/20 0.36
ROCK2 O75116 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.34
SCN9A Q15858 1/20 0.34
NOS1 P29475 1/20 0.33
BRAF P15056 3/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
ACHE P22303 2/20 0.33
BCHE P06276 1/20 0.32
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
FBP1 P09467 1/20 0.32
FDFT1 P37268 1/20 0.31
NEK2 P51955 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
SCHEMBL7880197 0.92 SCN9A (0.35) ROCK2SUCNR1SCN9ABRAFPPARG
SCHEMBL7877608 0.91 F10 (0.38) F10SUCNR1BRAFPPARGPPARD
SCHEMBL7878058 0.91 SLC6A4 (0.41) SLC6A2SLC6A4ROCK2SCN9ABRAF
SCHEMBL7873817 0.88 SLC6A4 (0.37) SLC6A2SLC6A4SUCNR1SCN9ABRAF
SCHEMBL7881500 0.88 MRGPRX4 (0.39) ROCK2
SCHEMBL7873733 0.88 SLC6A4 (0.39) SLC6A2SLC6A4F2F10ROCK2
SCHEMBL7882116 0.86 BRAF (0.35) SUCNR1BRAFFBP1SLC9A1
SCHEMBL7882375 0.86 FFAR1 (0.39) SLC9A1
SCHEMBL7880762 0.85 CCR8 (0.39) SCN9A
SCHEMBL7873465 0.85 F2 (0.36) F2F10ROCK2NOS1PPARG

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