SCHEMBL7873733

SCHEMBL7873733

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.39
HTR2A P28223 5/20 0.39
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
NOS1 P29475 1/20 0.34
SLC6A2 P23975 3/20 0.33
ACHE P22303 2/20 0.33
DAGLA Q9Y4D2 1/20 0.33
TNKS O95271 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
ROCK2 O75116 2/20 0.33
BCHE P06276 1/20 0.33
KCNH2 Q12809 3/20 0.32
SLC6A3 Q01959 2/20 0.32
DPP4 P27487 1/20 0.32
BRAF P15056 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
SCHEMBL7877615 0.91 PPARG (0.34) SLC6A4HTR2APPARGPPARDPPARA
SCHEMBL7877437 0.90 PPARG (0.36) SLC6A4HTR2APPARGPPARDPPARA
SCHEMBL7882026 0.90 SLC6A4 (0.43) SLC6A4HTR2ASLC6A2TNKSROCK2
Hydrochloric Acid SCHEMBL7881837 0.89 SLC6A4 (0.43) SLC6A4HTR2ASLC6A2TNKSROCK2
SCHEMBL7877633 0.88 SLC6A2 (0.36) SLC6A4PPARGPPARDPPARANOS1
SCHEMBL7882394 0.88 SLC6A4 (0.38) SLC6A4HTR2ASLC6A2KCNH2BRAF
SCHEMBL7884417 0.88 MRGPRX4 (0.40) NOS1
SCHEMBL7873465 0.86 F2 (0.36) PPARGPPARDPPARANOS1ACHE
SCHEMBL7884847 0.85 RHEB (0.35) SLC6A4HTR2AKCNH2BRAF
SCHEMBL7881844 0.85 RHEB (0.44)

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