SCHEMBL7878060

SCHEMBL7878060

CN(C)Cc1ccccc1COc1ccc(C(F)(F)F)c2cc(C(=O)N(C)C(=N)N)[nH]c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
PLK1 P53350 3/20 0.34
MAOB P27338 2/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 1/20 0.32
CYP3A4 P08684 1/20 0.32
NEK2 P51955 3/20 0.32
S1PR1 P21453 2/20 0.32
MAOA P21397 1/20 0.32
SCN9A Q15858 1/20 0.32
MAP4K4 O95819 2/20 0.31
CSF1R P07333 2/20 0.31
KDR P35968 2/20 0.31
LIMK1 P53667 2/20 0.31
STK3 Q13188 2/20 0.31
DYRK1A Q13627 2/20 0.31
BRSK1 Q8TDC3 2/20 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
SCHEMBL7880033 0.92 FFAR1 (0.35) FFAR1FFAR4PLK1MAOBNEK2
SCHEMBL7881177 0.92 FFAR1 (0.38) FFAR1FFAR4PLK1MAOBNEK2
SCHEMBL7882312 0.88 SLC6A4 (0.39) SLC6A2SLC6A4SCN9A
SCHEMBL7878281 0.88 HRH3 (0.38) FFAR1FFAR4SLC6A2SLC6A4CYP2D6
SCHEMBL7877966 0.87 S1PR1 (0.36) FFAR1FFAR4PLK1CYP2D6CYP2C19
SCHEMBL7881492 0.87 MRGPRX4 (0.37) FFAR4PLK1MAOBNEK2S1PR1
Hydrochloric Acid SCHEMBL7873300 0.86 S1PR1 (0.40) FFAR1FFAR4S1PR1EGFR
SCHEMBL7882152 0.85 MAPT (0.33) CYP2C19
SCHEMBL7885040 0.85 NEK2 (0.33) PLK1NEK2S1PR1
SCHEMBL7878064 0.84 FFAR1 (0.36) FFAR1FFAR4PLK1MAOBSLC6A2

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