SCHEMBL7873523

SCHEMBL7873523

CNC(N)=NC(=O)c1cc2cccc(OCCCN3CCCC3)c2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
HRH3 Q9Y5N1 4/20 0.42
HTR2A P28223 2/20 0.42
HTR7 P34969 2/20 0.42
HTR6 P50406 2/20 0.42
GCGR P47871 1/20 0.41
HRH4 Q9H3N8 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL7879431 0.86 KDM4E (0.46) MAPTL3MBTL1HRH3CYP2D6CYP2C19
SCHEMBL7877538 0.86 EHMT2 (0.47) ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7882211 0.85 HTR1B (0.40) DRD2DRD3MAPTHRH4ALDH1A1
Hydrochloric Acid SCHEMBL8634006 0.85 HTR1B (0.40) DRD2DRD3MAPTHRH4ALDH1A1
Hydrochloric Acid SCHEMBL7881296 0.84 MTNR1A (0.36) DRD2DRD3MAPTHRH4ALDH1A1
SCHEMBL7879694 0.84 ALDH1A1 (0.40) MAPTL3MBTL1ESR1ESR2HRH3
SCHEMBL7881157 0.83 HTR1B (0.44) DRD2DRD3HRH3ALDH1A1KDM4E
SCHEMBL7877963 0.83 MEN1 (0.41) DRD2DRD3HRH4CYP2D6TSHR
Hydrochloric Acid SCHEMBL7873615 0.82 MTNR1B (0.40)
SCHEMBL7877563 0.82 HTR1B (0.38) DRD2DRD3MAPTTDP1ESR1

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-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-0622356-B1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMA (JP) 1998-07-01 EP disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed
EP-0622356-A1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-02 EP disclosed