SCHEMBL7877779

SCHEMBL7877779

CN(C(=N)N)C(=O)c1cc2cccc(Oc3ccccc3CN3CCCCC3)c2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HRH4 Q9H3N8 2/20 0.37
SCN9A Q15858 2/20 0.37
CCR8 P51685 6/20 0.36
KCNH2 Q12809 6/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR2C P28335 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL7877961 0.99 MEN1 (0.41) MEN1KMT2AHRH4SCN9ACCR8
SCHEMBL7873564 0.87 MEN1 (0.41) MEN1KMT2ASCN9ACCR8KCNH2
SCHEMBL7877507 0.87 HRH3 (0.39) HRH4SCN9ADRD2DRD3KDM4E
SCHEMBL7873775 0.86 CCR8 (0.40) MEN1KMT2ACCR8KCNH2
SCHEMBL7873974 0.86 MEN1 (0.39) MEN1KMT2ASCN9ACCR8KCNH2
SCHEMBL7877531 0.86 DRD2 (0.39) HRH4SCN9ADRD2DRD3KDM4E
SCHEMBL7877794 0.85 CCR8 (0.41) MEN1KMT2ACCR8KCNH2KDM4E
SCHEMBL7881986 0.85 TP53 (0.36) MEN1KMT2AHRH4KDM4EALDH1A1
SCHEMBL7873849 0.85 MEN1 (0.39) MEN1KMT2ASCN9ACCR8KCNH2
SCHEMBL7884263 0.84 KMT2A (0.41) MEN1KMT2ASCN9AKDM4E

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