SCHEMBL7877544

SCHEMBL7877544

CNC(N)=NC(=O)c1cc2c(Cl)cc(Oc3ccc(CN(C)C)cc3)cc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.38
HTR2A P28223 1/20 0.38
RHEB Q15382 2/20 0.38
MAP2 P11137 1/20 0.37
SLC6A2 P23975 2/20 0.33
MDM2 Q00987 1/20 0.33
MMP3 P08254 1/20 0.33
MMP10 P09238 1/20 0.33
CHEK2 O96017 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KIT P10721 1/20 0.32
FLT3 P36888 1/20 0.32
PARP1 P09874 2/20 0.32
PARP2 Q9UGN5 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 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
Hydrochloric Acid SCHEMBL7881328 0.99 SLC6A4 (0.37) SLC6A4HTR2ARHEBMAP2SLC6A2
SCHEMBL7884259 0.91 RHEB (0.36) SLC6A4HTR2ARHEBMDM2CHEK2
SCHEMBL7881485 0.90 PPARG (0.39) SLC6A4HTR2ARHEBMAP2PARP1
SCHEMBL7873536 0.90 MAP2 (0.37) SLC6A4HTR2AMAP2MDM2KIT
SCHEMBL7879412 0.89 RHEB (0.39) RHEBCHEK2FLT3PPARGPPARD
SCHEMBL7881251 0.89 DYRK1A (0.32) SLC6A4HTR2ARHEBPPARGPPARD
Hydrochloric Acid SCHEMBL7873289 0.89 MAP2 (0.36) SLC6A4HTR2AMAP2MDM2KIT
Hydrochloric Acid SCHEMBL7881148 0.89 RHEB (0.39) RHEBCHEK2FLT3PPARGPPARD
SCHEMBL7881493 0.87 SLC6A2 (0.36) SLC6A4RHEBMAP2SLC6A2MMP3
SCHEMBL7873340 0.86 KMT2A (0.43) MAP2MMP3MMP10MEN1KMT2A

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 5 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
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP 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