SCHEMBL7878049

SCHEMBL7878049

CNC(N)=NC(=O)c1cc2c(C(F)(F)F)cc(Oc3cccc(CN4CCCCC4)c3)cc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.40
CCR8 P51685 1/20 0.39
HRH2 P25021 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTR3A P46098 1/20 0.38
SCN9A Q15858 1/20 0.38
MGLL Q99685 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
SCHEMBL7879812 0.99 FAAH (0.40) FAAHCCR8HRH2KDM4ESCN9A
SCHEMBL7882171 0.91 HRH3 (0.38) HRH3KDM4EHTR3ASCN9A
SCHEMBL7881044 0.90 SCN9A (0.38) HRH3KDM4EHTR3ASCN9A
SCHEMBL7881375 0.89 FAAH (0.41) FAAHCCR8HRH2HRH3KDM4E
SCHEMBL7884249 0.88 FAAH (0.42) FAAHCCR8KDM4E
SCHEMBL7881199 0.87 DYRK1A (0.36) SCN9A
SCHEMBL7877894 0.87 RHEB (0.36)
SCHEMBL7881083 0.86 FAAH (0.42) FAAHCCR8HRH2HRH3KDM4E
SCHEMBL7877896 0.86 TLR7 (0.35) FAAHSCN9A
SCHEMBL7877751 0.86 MEN1 (0.39) KDM4EHTR3ASCN9A

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