SCHEMBL7877435

SCHEMBL7877435

CN(C(=N)N)C(=O)c1cc2c(Cl)ccc(Oc3cccc(CN)c3)c2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.40
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
RHEB Q15382 1/20 0.34
FBP1 P09467 1/20 0.33
ACHE P22303 1/20 0.32
CTSC P53634 1/20 0.32
GRIN1 Q05586 1/20 0.32
PLAU P00749 2/20 0.32
PLG P00747 1/20 0.32
PLAT P00750 1/20 0.32
PTGDR2 Q9Y5Y4 3/20 0.32
DAGLA Q9Y4D2 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
SCHEMBL7873728 0.92 SLC6A4 (0.41) F10HTR2ASLC6A4PPARGPPARD
SCHEMBL7880166 0.91 HTR2A (0.39) F10HTR2ASLC6A4RHEBFBP1
Hydrochloric Acid SCHEMBL7873468 0.90 HTR2A (0.39) F10HTR2ASLC6A4RHEBFBP1
SCHEMBL7877609 0.89 HTR2A (0.36) F10HTR2ASLC6A4PPARGPPARD
SCHEMBL7877602 0.88 F10 (0.40) F10PPARGPPARDPPARARHEB
SCHEMBL7884844 0.87 RHEB (0.35) F10HTR2ASLC6A4RHEBFBP1
SCHEMBL7881841 0.87 RHEB (0.45) RHEBFBP1
SCHEMBL7881924 0.87 HTR2A (0.33) HTR2ASLC6A4PPARG
SCHEMBL7884748 0.87 CCR8 (0.40)
SCHEMBL7873387 0.87 MRGPRX4 (0.44) RHEBPLAUPLG

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