SCHEMBL7877982

SCHEMBL7877982

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.37
AR P10275 4/20 0.36
RHEB Q15382 1/20 0.33
S1PR1 P21453 1/20 0.33
NR1H2 P55055 2/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
MAOA P21397 1/20 0.33
SRD5A2 P31213 1/20 0.33
NR1H3 Q13133 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
SCHEMBL7879920 0.94 MAOB (0.37) MAOBARIDO1TDO2MAOA
Hydrochloric Acid SCHEMBL7881834 0.91 IDO1 (0.40) MAOBARRHEBNR1H2IDO1
SCHEMBL7879946 0.90 MAOB (0.35) MAOBARRHEB
SCHEMBL7873348 0.90 RHEB (0.38) ARRHEBIDO1TDO2
SCHEMBL7882185 0.88 HRH3 (0.41) MAOBARRHEBIDO1TDO2
SCHEMBL7882032 0.87 MAOB (0.39) MAOBARRHEBMAOA
SCHEMBL7881424 0.87 MAOB (0.36) MAOBRHEBMAOASRD5A2
SCHEMBL7882326 0.86 RHEB (0.32) ARRHEB
SCHEMBL7881396 0.86 TDP1 (0.33) ARRHEB
SCHEMBL7881398 0.86 MAOB (0.36) MAOBAR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1067988-C Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 2001-07-04 CN disclosed
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
CN-1136038-A Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 1996-11-20 CN disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed