SCHEMBL7873536

SCHEMBL7873536

CNC(N)=NC(=O)c1cc2c(Cl)cc(OCc3ccc(CN(C)C)cc3)cc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 1/20 0.37
KIT P10721 1/20 0.35
FLT3 P36888 1/20 0.35
SCN9A Q15858 1/20 0.35
MAOB P27338 3/20 0.34
MAOA P21397 1/20 0.34
MDM2 Q00987 8/20 0.34
MDM4 O15151 3/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
ACHE P22303 1/20 0.33
CHUK O15111 1/20 0.33
INSR P06213 1/20 0.33
MAPK8 P45983 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33
MCHR1 Q99705 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 SCHEMBL7873289 0.99 MAP2 (0.36) MAP2KITFLT3SCN9AMAOB
SCHEMBL7880962 0.92 MAOB (0.37) MAOBMAOAMDM2MDM4
SCHEMBL7881488 0.91 HRH3 (0.42) SCN9AMAOBMAOAMDM2MDM4
SCHEMBL7877544 0.90 SLC6A4 (0.38) MAP2KITFLT3MDM2HTR2A
SCHEMBL7881424 0.90 MAOB (0.36) MAOBMAOA
Hydrochloric Acid SCHEMBL7881328 0.89 SLC6A4 (0.37) MAP2KITFLT3MDM2HTR2A
Hydrochloric Acid SCHEMBL7879402 0.89 MAOB (0.37) MAOBMAOA
SCHEMBL7879946 0.87 MAOB (0.35) MAP2KITFLT3MAOBMDM2
SCHEMBL7873845 0.87 SLC6A4 (0.34) MAOBMAOAMDM2MDM4HTR2A
SCHEMBL7880186 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1067988-C Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 2001-07-04 CN claimed
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
CN-1136038-A Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 1996-11-20 CN claimed
CN-1067988-C Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 2001-07-04 CN disclosed
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
CN-1136038-A Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 1996-11-20 CN disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed