SCHEMBL7873387

SCHEMBL7873387

CN(C(=N)N)C(=O)c1cc2c(Cl)ccc(OCc3cccc(CN)c3)c2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 9/20 0.44
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
MDM2 Q00987 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CFD P00746 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
F11 P03951 1/20 0.37
KLKB1 P03952 1/20 0.37
F7 P08709 1/20 0.37
TPSB2 P20231 1/20 0.37
RHEB Q15382 1/20 0.36
TOP2A P11388 3/20 0.36

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
SCHEMBL7880027 0.93 RHEB (0.42) MRGPRX4NPC1ALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL7877841 0.92 RHEB (0.41) MRGPRX4NPC1ALDH1A1MAPTHPGD
SCHEMBL7884412 0.92 MGMT (0.38) MRGPRX4NPC1ALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL7882091 0.90 MRGPRX4 (0.40) MRGPRX4NPC1ALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL7877431 0.89 RHEB (0.42) MRGPRX4NPC1ALDH1A1MAPTHPGD
SCHEMBL7873837 0.89 NPC1 (0.38) MRGPRX4NPC1ALDH1A1MAPTHPGD
SCHEMBL7884835 0.88 MRGPRX4 (0.37) MRGPRX4ALDH1A1L3MBTL1CFDPLG
SCHEMBL7877435 0.87 F10 (0.40) PLGPLAURHEB
SCHEMBL7884858 0.87 MRGPRX4 (0.38) MRGPRX4NPC1ALDH1A1MAPTHPGD
SCHEMBL7880721 0.86 HDAC8 (0.37) MRGPRX4NPC1HTTRAB9ASMN1; SMN2

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 3 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-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed