SCHEMBL7873759

SCHEMBL7873759

CCN(CC)Cc1ccc(Oc2ccc(C(F)(F)F)c3cc(C(=O)N(C)C(=N)N)[nH]c23)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.37
ACHE P22303 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
NR3C1 P04150 2/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR5 Q9H1C0 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL7878053 0.92 SLC6A4 (0.40) SCN9ASLC6A2SLC6A4NR3C1LPAR1
SCHEMBL7879496 0.91 SCN9A (0.35) SCN9ASLC6A2SLC6A4
SCHEMBL7880193 0.91 SCN9A (0.36) SCN9AACHEMEN1KMT2A
SCHEMBL7879648 0.90 ACHE (0.35) ACHEMEN1KMT2A
SCHEMBL7880729 0.89 FFAR1 (0.35) SCN9ASLC6A2SLC6A4NR3C1LPAR1
SCHEMBL7877753 0.88 HTR2A (0.39) SCN9AACHESLC6A4LPAR1LPAR5
SCHEMBL7880919 0.86 FFAR1 (0.36) SCN9ASLC6A2SLC6A4FFAR1
SCHEMBL7881823 0.86 SCN9A (0.30) SCN9A
Hydrochloric Acid SCHEMBL7881490 0.85 FFAR1 (0.36) SCN9ASLC6A2SLC6A4FFAR1
SCHEMBL7882054 0.85 SCN9A (0.37) SCN9AACHESLC6A2SLC6A4MEN1

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