SCHEMBL7877574

SCHEMBL7877574

CCN(CC)Cc1ccccc1Oc1cc(Cl)c2cc(C(=O)N=C(N)NC)[nH]c2c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 3/20 0.37
SLC1A5 Q15758 4/20 0.36
SLC6A4 P31645 4/20 0.36
HTR2A P28223 3/20 0.36
KCNH2 Q12809 3/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP3A5 P20815 1/20 0.36
CYP2C19 P33261 1/20 0.36
SCN9A Q15858 2/20 0.35
ABL1 P00519 1/20 0.32
APP P05067 1/20 0.32

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
SCHEMBL7879999 0.91 SLC6A4 (0.46) RHEBSLC6A4HTR2AKCNH2SLC6A2
SCHEMBL7880770 0.88 CYP3A4 (0.40) RHEBSLC6A4HTR2AKCNH2SLC6A2
SCHEMBL7878265 0.88 SCN9A (0.37) RHEBSLC1A5SLC6A4SLC6A2SCN9A
SCHEMBL7885059 0.88 MDM4 (0.33) RHEBSLC1A5
SCHEMBL7884259 0.85 RHEB (0.36) RHEBSLC6A4HTR2A
SCHEMBL7881963 0.84 PPARG (0.38) RHEB
SCHEMBL7880009 0.84 RHEB (0.42) RHEBCYP3A4CYP2D6CYP3A5CYP2C19
SCHEMBL7882108 0.83 SLC6A2 (0.34) SLC1A5SLC6A4HTR2AKCNH2SLC6A2
SCHEMBL7884288 0.83 MEN1 (0.38) RHEBSLC6A4HTR2AKCNH2CYP3A4
SCHEMBL7879914 0.83 ALDH1A1 (0.31) RHEB

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