SCHEMBL7877979

SCHEMBL7877979

CN(C(=N)N)C(=O)c1cc2c(C(F)(F)F)cc(OCc3ccc(CN)cc3)cc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.36
AR P10275 5/20 0.34
CYP3A4 P08684 1/20 0.34
RHEB Q15382 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
MAOA P21397 1/20 0.32
SRD5A2 P31213 1/20 0.32
MC4R P32245 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32

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
SCHEMBL7879917 0.94 MRGPRX4 (0.37) MAOBARMRGPRX4MAOASRD5A2
SCHEMBL7879939 0.92 MAOB (0.36) MAOBARRHEBMAOA
Hydrochloric Acid SCHEMBL7881830 0.91 SRD5A2 (0.39) MAOBARRHEBMRGPRX4MAOA
SCHEMBL7873341 0.90 ST14 (0.39) MAOBARRHEB
SCHEMBL7882182 0.89 HRH3 (0.39) MAOBARRHEBMRGPRX4
SCHEMBL7881394 0.88 MAOB (0.37) MAOBARMRGPRX4MAOA
SCHEMBL7882030 0.87 MAOB (0.38) MAOBARRHEBMAOA
SCHEMBL7881393 0.86 RHEB (0.32) RHEB
SCHEMBL7882315 0.86 RHEB (0.32) RHEB
SCHEMBL7881416 0.86 MAOB (0.36) MAOBCYP3A4RHEBMAOASRD5A2

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