SCHEMBL7873652

SCHEMBL7873652

CCN(CC)Cc1cc(Oc2ccc(Cl)c3cc(C(=O)N(C)C(=N)N)[nH]c23)ccn1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
BRAF P15056 4/20 0.33
KDM4E B2RXH2 1/20 0.31
BRD4 O60885 1/20 0.30

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
SCHEMBL7877833 0.92 SLC6A4 (0.38) HTR2ASLC6A4BRAF
SCHEMBL7880170 0.85 TP53 (0.39) BRAFKDM4E
SCHEMBL7877753 0.85 HTR2A (0.39) HTR2ASLC6A4BRD4
SCHEMBL7881169 0.85 MAPK14 (0.37) HTR2ASLC6A4BRAFKDM4E
SCHEMBL7879882 0.85 SYK (0.33) KDM4E
SCHEMBL7882126 0.85 RHEB (0.32) KDM4E
SCHEMBL7877609 0.84 HTR2A (0.36) HTR2ASLC6A4BRD4
SCHEMBL7884712 0.84 SLC6A4 (0.34) HTR2ASLC6A4BRAF
SCHEMBL7873655 0.83 KDR (0.32) HTR2ASLC6A4BRAFKDM4E
SCHEMBL7881402 0.83 HTR2A (0.35) HTR2ASLC6A4BRD4

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