SCHEMBL7873728

SCHEMBL7873728

CN(C)Cc1cccc(Oc2ccc(Cl)c3cc(C(=O)N(C)C(=N)N)[nH]c23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.41
HTR2A P28223 4/20 0.41
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
GRIN1 Q05586 1/20 0.35
TNKS O95271 1/20 0.35
DAGLA Q9Y4D2 1/20 0.35
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
KCNH2 Q12809 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 2/20 0.34
RHEB Q15382 1/20 0.33
F3 P13726 1/20 0.33
FBP1 P09467 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ROCK2 O75116 1/20 0.33
PARP1 P09874 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
SCHEMBL7877609 0.92 HTR2A (0.36) SLC6A4HTR2AF2F10GRIN1
SCHEMBL7877435 0.92 F10 (0.40) SLC6A4HTR2AF10GRIN1DAGLA
SCHEMBL7882020 0.90 SLC6A4 (0.45) SLC6A4HTR2ATNKSKCNH2SLC6A2
Hydrochloric Acid SCHEMBL7881831 0.89 SLC6A4 (0.45) SLC6A4HTR2ATNKSKCNH2SLC6A2
SCHEMBL7877628 0.88 F10 (0.39) SLC6A4HTR2AF2F10SLC6A2
SCHEMBL7882381 0.87 SLC6A4 (0.40) SLC6A4HTR2ATNKSKCNH2SLC6A2
SCHEMBL7884412 0.87 MGMT (0.38) TNKSRHEB
SCHEMBL7884844 0.87 RHEB (0.35) SLC6A4HTR2AF2F10RHEB
SCHEMBL7881841 0.86 RHEB (0.45) RHEBFBP1
SCHEMBL7884748 0.86 CCR8 (0.40) KCNH2MEN1KMT2A

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