SCHEMBL7879939

SCHEMBL7879939

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.36
AR P10275 4/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KIT P10721 1/20 0.33
FLT3 P36888 1/20 0.33
ACHE P22303 1/20 0.33
RHEB Q15382 1/20 0.33
MCHR1 Q99705 1/20 0.33
MAP2 P11137 1/20 0.32
MAOA P21397 1/20 0.32
SLC2A1 P11166 1/20 0.32

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
SCHEMBL7882182 0.92 HRH3 (0.39) MAOBARKMT2AMEN1RXFP1
SCHEMBL7881394 0.92 MAOB (0.37) MAOBARKMT2AMEN1RXFP1
SCHEMBL7877979 0.92 MAOB (0.36) MAOBARRHEBMAOA
SCHEMBL7881487 0.90 RHEB (0.36) KMT2AMEN1RXFP1RHEBMAP2
Hydrochloric Acid SCHEMBL7881830 0.90 SRD5A2 (0.39) MAOBARKMT2AMEN1RXFP1
SCHEMBL7881151 0.88 MAOB (0.37) MAOBARKMT2AMEN1RXFP1
SCHEMBL7884559 0.87 AR (0.32) ARRHEB
SCHEMBL7885072 0.87 AR (0.33) ARRHEB
SCHEMBL7873532 0.86 MAP2 (0.38) MAOBKMT2AMEN1RXFP1KIT
SCHEMBL7879917 0.86 MRGPRX4 (0.37) MAOBARMAOA

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