SCHEMBL7879999

SCHEMBL7879999

CNC(N)=NC(=O)c1cc2c(Cl)cc(Oc3ccccc3CN(C)C)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.46
SLC6A2 P23975 13/20 0.46
SLC6A3 Q01959 11/20 0.46
HTR2A P28223 6/20 0.46
KCNH2 Q12809 1/20 0.46
RHEB Q15382 2/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP3A5 P20815 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL7877574 0.91 RHEB (0.37) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL7880770 0.90 CYP3A4 (0.40) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL7878198 0.88 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL7873845 0.88 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL7881959 0.85 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL7880009 0.85 RHEB (0.42) RHEBCYP3A4CYP2D6CYP3A5CYP2C19
SCHEMBL7884288 0.84 MEN1 (0.38) SLC6A4HTR2AKCNH2RHEBCYP3A4
SCHEMBL7877544 0.84 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3HTR2ARHEB
Hydrochloric Acid SCHEMBL7879995 0.84 RHEB (0.41) RHEBCYP3A4CYP2D6CYP3A5CYP2C19
SCHEMBL7881485 0.84 PPARG (0.39) SLC6A4HTR2ARHEB

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