SCHEMBL7882182

SCHEMBL7882182

CCN(CC)Cc1ccc(COc2cc(C(F)(F)F)c3cc(C(=O)N(C)C(=N)N)[nH]c3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
MAOB P27338 4/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MCHR1 Q99705 1/20 0.33
AR P10275 4/20 0.33
BCHE P06276 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MRGPRX4 Q96LA9 2/20 0.32
ACHE P22303 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
RHEB Q15382 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
SCHEMBL7877569 0.93 GYS1 (0.37) L3MBTL1MAOBMEN1KMT2AAR
SCHEMBL7879939 0.92 MAOB (0.36) MAOBMEN1KMT2AMCHR1AR
SCHEMBL7879950 0.90 RHEB (0.35) HRH3L3MBTL1MEN1KMT2AAR
SCHEMBL7877979 0.89 MAOB (0.36) MAOBARMRGPRX4RHEB
SCHEMBL7881845 0.88 MAOB (0.36) MAOBMEN1KMT2AARBCHE
Hydrochloric Acid SCHEMBL7881830 0.88 SRD5A2 (0.39) MAOBMEN1KMT2AARRXFP1
SCHEMBL7881477 0.87 HRH3 (0.41) HRH3L3MBTL1MAOBMEN1KMT2A
SCHEMBL7881345 0.85 ALK (0.36) HRH3MAOBMCHR1ARRHEB
SCHEMBL7877872 0.85 MEN1 (0.34) MEN1KMT2ABCHERXFP1RHEB
SCHEMBL7881394 0.84 MAOB (0.37) MAOBMEN1KMT2AARRXFP1

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