SCHEMBL7879917

SCHEMBL7879917

CN(C(=N)N)C(=O)c1cc2c(C(F)(F)F)cc(OCc3cccc(CN)c3)cc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.37
MAOB P27338 6/20 0.36
CFD P00746 1/20 0.35
F2 P00734 4/20 0.34
AR P10275 1/20 0.34
MAOA P21397 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NR4A2 P43354 1/20 0.33
SRD5A2 P31213 1/20 0.33
MC4R P32245 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL7877979 0.94 MAOB (0.36) MRGPRX4MAOBARMAOASRD5A2
SCHEMBL7881394 0.92 MAOB (0.37) MRGPRX4MAOBCFDF2AR
Hydrochloric Acid SCHEMBL7881830 0.90 SRD5A2 (0.39) MRGPRX4MAOBARMAOASRD5A2
SCHEMBL7877569 0.90 GYS1 (0.37) MRGPRX4MAOBCFDF2AR
SCHEMBL7877890 0.89 F10 (0.36) F2PPARGPPARDPPARA
SCHEMBL7882030 0.87 MAOB (0.38) MAOBF2ARMAOA
SCHEMBL7877987 0.86 MRGPRX4 (0.36) MRGPRX4MAOBCFDF2SRD5A2
SCHEMBL7882315 0.86 RHEB (0.32)
SCHEMBL7879939 0.86 MAOB (0.36) MAOBARMAOA
SCHEMBL7873341 0.85 ST14 (0.39) MAOBF2AR

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