SCHEMBL7873809

SCHEMBL7873809

CN(C)Cc1cncc(Oc2ccc(C(F)(F)F)c3cc(C(=O)N(C)C(=N)N)[nH]c23)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.35
SLC6A2 P23975 4/20 0.35
SCN9A Q15858 2/20 0.34
SUCNR1 Q9BXA5 1/20 0.33
BRAF P15056 4/20 0.33
ICAM1 P05362 2/20 0.33
SELE P16581 2/20 0.33
SLC6A3 Q01959 2/20 0.32
F3 P13726 1/20 0.32
HTR2A P28223 1/20 0.31
RHEB Q15382 1/20 0.31
VCAM1 P19320 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
FFAR1 O14842 1/20 0.30

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
SCHEMBL7879496 0.93 SCN9A (0.35) SLC6A4SLC6A2SCN9ASUCNR1BRAF
SCHEMBL7884304 0.92 SUCNR1 (0.32) SUCNR1BRAFICAM1SELE
SCHEMBL7878053 0.90 SLC6A4 (0.40) SLC6A4SLC6A2SCN9ABRAFSLC6A3
SCHEMBL7882381 0.89 SLC6A4 (0.40) SLC6A4SLC6A2BRAFICAM1SELE
SCHEMBL7877628 0.88 F10 (0.39) SLC6A4SLC6A2SCN9ASUCNR1BRAF
SCHEMBL7881879 0.88 ICAM1 (0.32) BRAFICAM1SELERHEBVCAM1
SCHEMBL7873734 0.87 DYRK1A (0.34) SLC6A4SCN9A
SCHEMBL7873817 0.85 SLC6A4 (0.37) SLC6A4SLC6A2SCN9ASUCNR1BRAF
SCHEMBL7884681 0.84 SMN1; SMN2 (0.43) SCN9ASUCNR1BRAFICAM1SELE
SCHEMBL7880729 0.84 FFAR1 (0.35) SLC6A4SLC6A2SCN9ABRAFRHEB

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