SCHEMBL7877796

SCHEMBL7877796

CCN(CC)Cc1cccc(COc2ccc(C(F)(F)F)c3cc(C(=O)N(C)C(=N)N)[nH]c23)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 1/20 0.38
MRGPRX4 Q96LA9 14/20 0.37
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 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
SCHEMBL7879648 0.92 ACHE (0.35) MRGPRX4L3MBTL1
SCHEMBL7881492 0.92 MRGPRX4 (0.37) MRGPRX4ALDH1A1GAAL3MBTL1
SCHEMBL7884835 0.90 MRGPRX4 (0.37) MRGPRX4ALDH1A1GAAL3MBTL1
SCHEMBL7873837 0.89 NPC1 (0.38) GYS1MRGPRX4ALDH1A1L3MBTL1GRIN2D
SCHEMBL7880193 0.88 SCN9A (0.36)
SCHEMBL7880033 0.87 FFAR1 (0.35)
Hydrochloric Acid SCHEMBL7873300 0.87 S1PR1 (0.40) MRGPRX4
SCHEMBL7884316 0.85 S1PR1 (0.37) MRGPRX4
SCHEMBL7877966 0.84 S1PR1 (0.36) MRGPRX4
SCHEMBL7882405 0.84 GYS1 (0.39) GYS1MRGPRX4GRIN2DGRIN3BGRIN1

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