SCHEMBL7873853

SCHEMBL7873853

CCN(CC)Cc1ccc(COc2cccc3cc(C(=O)N=C(N)NC)[nH]c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 4/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
TP53 P04637 2/20 0.35
ACHE P22303 2/20 0.34
SRD5A2 P31213 2/20 0.34
BCHE P06276 2/20 0.34
FLT3 P36888 1/20 0.34
SRD5A1 P18405 1/20 0.34
IDO1 P14902 1/20 0.34
KDM4E B2RXH2 1/20 0.33
C5AR1 P21730 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 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
SCHEMBL7882408 0.94 GYS1 (0.36) MAPTTP53SRD5A2BCHEFLT3
SCHEMBL7873771 0.91 ALDH1A1 (0.37) MAPTALDH1A1GAASRD5A2FLT3
SCHEMBL7873721 0.89 ALDH1A1 (0.39) MAPTALDH1A1GAASRD5A2FLT3
SCHEMBL7884463 0.88 MEN1 (0.38) L3MBTL1MAPTALDH1A1TP53BCHE
Hydrochloric Acid SCHEMBL7877865 0.87 SRD5A2 (0.44) MAPTALDH1A1GAASRD5A2SRD5A1
SCHEMBL7880880 0.85 RHEB (0.39) HRH3L3MBTL1ALDH1A1ACHE
SCHEMBL7880990 0.84 MGMT (0.38) L3MBTL1ALDH1A1GAASRD5A2FLT3
SCHEMBL7877563 0.84 HTR1B (0.38) MAPTALDH1A1TP53ACHEBCHE
SCHEMBL7881928 0.84 IDO1 (0.35) MAPTTP53IDO1MTNR1AMTNR1B
SCHEMBL7879651 0.83 HRH3 (0.37) HRH3L3MBTL1ACHE

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
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