SCHEMBL7873775

SCHEMBL7873775

CN(C(=N)N)C(=O)c1cc2cccc(Oc3cccc(CN4CCCCC4)c3)c2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 7/20 0.40
KCNH2 Q12809 4/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MGLL Q99685 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
PARP1 P09874 1/20 0.38

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
SCHEMBL7877794 0.99 CCR8 (0.41) CCR8KCNH2MEN1KMT2AMGLL
SCHEMBL7877507 0.92 HRH3 (0.39) PARP1
SCHEMBL7877531 0.91 DRD2 (0.39) ITGB3ITGA2BPARP1
SCHEMBL7882004 0.89 PARP1 (0.39) PARP1
SCHEMBL7882269 0.87 KDM4E (0.40) CCR8KCNH2ITGB3ITGA2B
SCHEMBL7884748 0.86 CCR8 (0.40) CCR8KCNH2MEN1KMT2AITGB3
SCHEMBL7877779 0.86 MEN1 (0.43) CCR8KCNH2MEN1KMT2A
SCHEMBL7879616 0.86 SLC6A4 (0.39) CCR8KCNH2
SCHEMBL7877486 0.86 PARP1 (0.35) PARP1
SCHEMBL7882045 0.85 F10 (0.41) MEN1KMT2A

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