SCHEMBL7878072

SCHEMBL7878072

CNC(N)=NC(=O)c1cc2c(C(F)(F)F)ccc(Oc3ccc(CN(C)C)s3)c2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
NEK2 P51955 2/20 0.31
PLK1 P53350 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
SCHEMBL7873429 0.92 SLC9A1 (0.32) SLC9A1
SCHEMBL7873328 0.91 SLC9A1 (0.34) SLC9A1
SCHEMBL7885052 0.88 MRGPRX4 (0.32) SLC9A1SLC6A2SLC6A4NEK2PLK1
SCHEMBL7881976 0.88 HTR2A (0.32) SLC6A4
SCHEMBL7879839 0.86 SLC9A1 (0.36) SLC9A1
SCHEMBL7881066 0.85 HRH3 (0.35) SLC9A1NEK2
SCHEMBL7878061 0.84 NEK2 (0.32) SLC6A2SLC6A4NEK2PLK1
SCHEMBL7880848 0.84 SLC6A2 (0.33) SLC6A2SLC6A4
SCHEMBL7878058 0.83 SLC6A4 (0.41) SLC6A2SLC6A4
SCHEMBL7879445 0.83 MTNR1A (0.32) SLC9A1

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