SCHEMBL7877563

SCHEMBL7877563

CCN(CC)CCCOc1cccc2cc(C(=O)N=C(N)NC)[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.38
HTR1D P28221 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
MAOB P27338 1/20 0.35
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
FLT3 P36888 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
ESR1 P03372 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL7881157 0.90 HTR1B (0.44) HTR1BALDH1A1KDM4EMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL8634006 0.86 HTR1B (0.40) HTR1BALDH1A1KDM4ELMNATP53
Hydrochloric Acid SCHEMBL7882211 0.86 HTR1B (0.40) HTR1BALDH1A1KDM4ELMNATP53
Hydrochloric Acid SCHEMBL7881296 0.85 MTNR1A (0.36) HTR1BHTR1DALDH1A1KDM4ELMNA
SCHEMBL7881951 0.85 KDM4E (0.42) ALDH1A1KDM4EBCHEACHETDP1
SCHEMBL7879685 0.85 ALDH1A1 (0.38) ALDH1A1KDM4EMAOBBCHEACHE
SCHEMBL7873853 0.84 HRH3 (0.39) ALDH1A1KDM4ETP53MAPTBCHE
Hydrochloric Acid SCHEMBL7884702 0.84 KDM4E (0.37) ALDH1A1KDM4EMAOBBCHEACHE
SCHEMBL7882408 0.83 GYS1 (0.36) TP53MAPTBCHEFLT3HRH4
SCHEMBL7884463 0.83 MEN1 (0.38) ALDH1A1KDM4ELMNATP53MAPT

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