SCHEMBL7878064

SCHEMBL7878064

CNC(N)=NC(=O)c1cc2c(C(F)(F)F)ccc(OCc3ccccc3CN(C)C)c2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
PLK1 P53350 3/20 0.33
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 1/20 0.32
CYP3A4 P08684 1/20 0.31
S1PR1 P21453 1/20 0.31
SCN9A Q15858 1/20 0.31
ESRRA P11474 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
MAP4K4 O95819 1/20 0.31
CSF1R P07333 1/20 0.31
PIM1 P11309 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL7880038 0.92 FFAR1 (0.35) FFAR1FFAR4PLK1MAOBMAOA
SCHEMBL7881181 0.90 FFAR1 (0.38) FFAR1FFAR4PLK1MAOBMAOA
SCHEMBL7882316 0.89 SLC6A4 (0.39) SLC6A2SLC6A4SCN9A
SCHEMBL7877971 0.88 RXRA (0.37) FFAR1FFAR4SLC6A2SLC6A4PLK1
SCHEMBL7878284 0.88 HRH3 (0.37) FFAR1FFAR4SLC6A2SLC6A4CYP2D6
SCHEMBL7881500 0.87 MRGPRX4 (0.39)
SCHEMBL7885052 0.85 MRGPRX4 (0.32) SLC6A2SLC6A4PLK1S1PR1NEK2
SCHEMBL7882160 0.85 SLC6A2 (0.31) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL7873306 0.85 S1PR1 (0.40) FFAR1FFAR4S1PR1
SCHEMBL7878060 0.84 FFAR1 (0.37) FFAR1FFAR4SLC6A2SLC6A4PLK1

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