SCHEMBL7879862

SCHEMBL7879862

CN(C(=N)N)C(=O)c1cc2c(C(F)(F)F)ccc(Oc3ccc(CN4CCCCC4)cc3)c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.38
SCN9A Q15858 5/20 0.38
IL6 P05231 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
LSS P48449 1/20 0.34

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
SCHEMBL7882232 0.99 SCN9A (0.38) HRH3SCN9AIL6TLR7
SCHEMBL7873699 0.91 SCN9A (0.38) SCN9A
SCHEMBL7880758 0.90 SCN9A (0.38) SCN9A
SCHEMBL7879919 0.90 HRH3 (0.41) HRH3
SCHEMBL7881384 0.89 HRH3 (0.39) HRH3IL6TLR7
SCHEMBL7873734 0.89 DYRK1A (0.34) SCN9A
SCHEMBL7873849 0.86 MEN1 (0.39) SCN9A
SCHEMBL7880729 0.86 FFAR1 (0.35) SCN9A
SCHEMBL7881379 0.86 TLR7 (0.36) SCN9ATLR7
SCHEMBL7881342 0.86 SCN9A (0.36) SCN9A

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