SCHEMBL7880919

SCHEMBL7880919

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
RHEB Q15382 1/20 0.35
BRAF P15056 7/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
ICAM1 P05362 2/20 0.33
SELE P16581 2/20 0.33
VCAM1 P19320 1/20 0.33
BRD4 O60885 3/20 0.33
FBP1 P09467 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
SCN9A Q15858 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
Hydrochloric Acid SCHEMBL7881490 0.99 FFAR1 (0.36) FFAR1RHEBBRAFSLC6A2SLC6A4
SCHEMBL7882372 0.91 FFAR1 (0.39) FFAR1RHEBBRAFBRD4FBP1
SCHEMBL7880729 0.89 FFAR1 (0.35) FFAR1RHEBBRAFSLC6A2SLC6A4
SCHEMBL7882112 0.89 BRAF (0.34) FFAR1RHEBBRAFICAM1SELE
SCHEMBL7882124 0.89 BRAF (0.35) FFAR1RHEBBRAFSLC6A2SLC6A4
SCHEMBL7878053 0.89 SLC6A4 (0.40) FFAR1RHEBBRAFSLC6A2SLC6A4
SCHEMBL7881879 0.88 ICAM1 (0.32) FFAR1RHEBBRAFICAM1SELE
SCHEMBL7877744 0.88 HSPB1 (0.36) FBP1
SCHEMBL7873263 0.87 HTR2A (0.37) FFAR1RHEBBRAFSLC6A4ICAM1
SCHEMBL7873759 0.86 SCN9A (0.37) FFAR1SLC6A2SLC6A4SCN9A

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