SCHEMBL7877833

SCHEMBL7877833

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.38
HTR2A P28223 5/20 0.38
BRAF P15056 6/20 0.34
KCNH2 Q12809 3/20 0.33
P2RX3 P56373 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
NUDT1 P36639 1/20 0.30
SOS1 Q07889 1/20 0.30
SYK P43405 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
SCHEMBL7873652 0.92 HTR2A (0.33) SLC6A4HTR2ABRAF
SCHEMBL7881800 0.89 BRAF (0.37) SLC6A4BRAFSLC6A2
SCHEMBL7884712 0.88 SLC6A4 (0.34) SLC6A4HTR2ABRAFSOS1
SCHEMBL7881169 0.87 MAPK14 (0.37) SLC6A4HTR2ABRAFNUDT1
SCHEMBL7881031 0.85 RHEB (0.34) SLC6A4HTR2ABRAF
SCHEMBL7879698 0.85 TP53 (0.36) BRAFSYK
SCHEMBL7882020 0.84 SLC6A4 (0.45) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL7873356 0.84 HTR2A (0.34) SLC6A4HTR2ANUDT1SYK
SCHEMBL7873369 0.84 RHEB (0.34) SLC6A4HTR2AP2RX3NUDT1
SCHEMBL7873728 0.84 SLC6A4 (0.41) SLC6A4HTR2AKCNH2SLC6A2SLC6A3

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