SCHEMBL7873699

SCHEMBL7873699

CN(C(=N)N)C(=O)c1cc2c(C(F)(F)F)ccc(Oc3cccc(CN4CCCCC4)c3)c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.38
MGLL Q99685 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH2 P25021 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL7880758 0.99 SCN9A (0.38) SCN9AMGLLMEN1KMT2A
SCHEMBL7879862 0.91 HRH3 (0.38) SCN9A
SCHEMBL7882232 0.90 SCN9A (0.38) SCN9AMEN1KMT2A
SCHEMBL7882269 0.90 KDM4E (0.40) KDM4EALDH1A1
SCHEMBL7884748 0.89 CCR8 (0.40) MEN1KMT2AKDM4EALDH1A1
SCHEMBL7873734 0.88 DYRK1A (0.34) SCN9AMGLL
SCHEMBL7877602 0.87 F10 (0.40)
SCHEMBL7877628 0.86 F10 (0.39) SCN9A
SCHEMBL7878045 0.86 SCN9A (0.39) SCN9AMGLLMEN1KMT2AHRH2
SCHEMBL7873849 0.86 MEN1 (0.39) SCN9AMGLLMEN1KMT2AKDM4E

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