SCHEMBL7879808

SCHEMBL7879808

CN(C(=N)N)C(=O)c1cc2c(C(F)(F)F)cc(Oc3cccc(CN4CCCC4)c3)cc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.40
KDM4E B2RXH2 2/20 0.38
MGLL Q99685 2/20 0.38
FAAH O00519 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ROCK2 O75116 1/20 0.35
CCR8 P51685 1/20 0.35

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
SCHEMBL7878045 0.99 SCN9A (0.39) SCN9AKDM4EMGLLFAAHMEN1
SCHEMBL7881038 0.91 SCN9A (0.40) SCN9AKDM4E
SCHEMBL7882167 0.90 SCN9A (0.39) SCN9AKDM4EALDH1A1
SCHEMBL7881197 0.88 DYRK1A (0.34) SCN9A
SCHEMBL7884245 0.88 FAAH (0.40) KDM4EFAAHALDH1A1LMNAGAA
SCHEMBL7877890 0.88 F10 (0.36) SCN9AMEN1KMT2A
SCHEMBL7881368 0.87 KDM4E (0.39) KDM4EFAAHALDH1A1LMNAGAA
SCHEMBL7877893 0.87 TLR7 (0.34) SCN9AFAAH
SCHEMBL7882181 0.87 F10 (0.39) MEN1KMT2AROCK2
SCHEMBL7882090 0.86 SCN9A (0.37) SCN9A

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