SCHEMBL7873532

SCHEMBL7873532

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 1/20 0.38
MAOB P27338 3/20 0.35
MAOA P21397 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
ACHE P22303 1/20 0.34
FLT3 P36888 2/20 0.34
KIT P10721 1/20 0.34
MCHR1 Q99705 2/20 0.34
TNKS O95271 1/20 0.34
SCN9A Q15858 1/20 0.34
CYP3A4 P08684 2/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
RHEB Q15382 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
Hydrochloric Acid SCHEMBL7873286 0.99 MAP2 (0.37) MAP2MAOBMAOAMEN1KMT2A
SCHEMBL7881477 0.92 HRH3 (0.41) MAOBMAOAMEN1KMT2ARXFP1
SCHEMBL7880955 0.92 MAOB (0.38) MAOBMEN1KMT2ARXFP1F2
SCHEMBL7881416 0.91 MAOB (0.36) MAOBMAOAFLT3SCN9ACYP3A4
Hydrochloric Acid SCHEMBL7879399 0.90 MAOB (0.37) MAOBMAOAACHEFLT3SCN9A
SCHEMBL7877541 0.89 HTR2A (0.39) MAP2MEN1KMT2ARXFP1HTR2A
Hydrochloric Acid SCHEMBL7881325 0.89 HTR2A (0.38) MAP2MEN1KMT2ARXFP1HTR2A
SCHEMBL7873843 0.87 RHEB (0.34) MAOBMAOAMEN1KMT2ARXFP1
SCHEMBL7880183 0.86 AR (0.32)
SCHEMBL7879939 0.86 MAOB (0.36) MAP2MAOBMAOAMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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