SCHEMBL7877823

SCHEMBL7877823

COc1cc(OCCN2CCCC2)cc2[nH]c(C(=O)N(C)C(=N)N)cc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 13/20 0.46
DRD2 P14416 9/20 0.46
FLT3 P36888 3/20 0.44
PDGFRB P09619 2/20 0.41
PDGFRA P16234 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
MCHR1 Q99705 1/20 0.38
ACHE P22303 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2C P18825 1/20 0.38
HTR2B P41595 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL7873204 0.95 HRH3 (0.42) DRD3DRD2FLT3ACHEHTR1A
SCHEMBL7873292 0.90 ULK1 (0.43) DRD3DRD2FLT3PDGFRBPDGFRA
SCHEMBL7882048 0.89 FLT3 (0.48) DRD3DRD2FLT3PDGFRBPDGFRA
Hydrochloric Acid SCHEMBL7877867 0.87 DRD3 (0.45) DRD3DRD2FLT3PDGFRBPDGFRA
SCHEMBL7879773 0.86 ULK1 (0.42) DRD2FLT3PDGFRB
SCHEMBL7884293 0.85 FLT3 (0.40) DRD3DRD2FLT3PDGFRBPDGFRA
SCHEMBL7881019 0.85 IDO1 (0.39) DRD3DRD2FLT3
Hydrochloric Acid SCHEMBL7882119 0.85 FLT3 (0.39) DRD3DRD2FLT3PDGFRBPDGFRA
SCHEMBL7877870 0.84 FLT3 (0.43) DRD3DRD2FLT3PDGFRBPDGFRA
SCHEMBL7873358 0.84 HDAC3 (0.40) DRD3DRD2FLT3

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