SCHEMBL7877569

SCHEMBL7877569

CCN(CC)Cc1cccc(COc2cc(C(F)(F)F)c3cc(C(=O)N(C)C(=N)N)[nH]c3c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 1/20 0.37
MRGPRX4 Q96LA9 4/20 0.37
BCHE P06276 2/20 0.35
CFD P00746 1/20 0.35
AR P10275 2/20 0.34
MAOB P27338 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 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
SCHEMBL7881394 0.93 MAOB (0.37) MRGPRX4CFDARMAOBMEN1
SCHEMBL7882182 0.93 HRH3 (0.39) MRGPRX4BCHEARMAOBMEN1
SCHEMBL7879917 0.90 MRGPRX4 (0.37) MRGPRX4CFDARMAOBL3MBTL1
SCHEMBL7877872 0.89 MEN1 (0.34) BCHEMEN1KMT2AGRIN2DGRIN3B
SCHEMBL7881845 0.88 MAOB (0.36) BCHEARMAOBMEN1KMT2A
SCHEMBL7884598 0.87 GYS1 (0.37) GYS1MRGPRX4BCHECFDMAOB
Hydrochloric Acid SCHEMBL7881830 0.87 SRD5A2 (0.39) MRGPRX4ARMAOBMEN1KMT2A
SCHEMBL7877979 0.85 MAOB (0.36) MRGPRX4ARMAOB
SCHEMBL7879950 0.85 RHEB (0.35) ARMEN1KMT2AL3MBTL1RXFP1
SCHEMBL7879939 0.85 MAOB (0.36) ARMAOBMEN1KMT2ARXFP1

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