SCHEMBL7878281

SCHEMBL7878281

CN(C)Cc1ccccc1COc1ccc(Cl)c2cc(C(=O)N(C)C(=N)N)[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.38
HDAC8 Q9BY41 2/20 0.36
SLC6A4 P31645 7/20 0.36
HTR2A P28223 2/20 0.36
SLC6A2 P23975 6/20 0.35
SLC6A3 Q01959 6/20 0.35
KCNH2 Q12809 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RHEB Q15382 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
SCHEMBL7881174 0.92 LTB4R (0.35) HDAC8FFAR1FFAR4MRGPRX4KDM4E
SCHEMBL7880721 0.91 HDAC8 (0.37) HRH3HDAC8FFAR1FFAR4MRGPRX4
SCHEMBL7878060 0.88 FFAR1 (0.37) HRH3SLC6A4SLC6A2FFAR1FFAR4
SCHEMBL7877942 0.88 SLC6A4 (0.47) SLC6A4HTR2ASLC6A2SLC6A3KCNH2
SCHEMBL7877781 0.87 RHEB (0.41) HDAC8SLC6A4HTR2ASLC6A2SLC6A3
SCHEMBL7884412 0.86 MGMT (0.38) MRGPRX4ALDH1A1SMN1; SMN2RHEB
Hydrochloric Acid SCHEMBL7881045 0.86 RHEB (0.41) HDAC8SLC6A4HTR2ASLC6A2SLC6A3
SCHEMBL7873810 0.85 HDAC8 (0.36) HDAC8FFAR1FFAR4MRGPRX4KDM4E
Hydrochloric Acid SCHEMBL7877431 0.85 RHEB (0.42) HDAC8FFAR4MRGPRX4KDM4EALDH1A1
SCHEMBL7877457 0.85 MEN1 (0.39) KDM4EMEN1ALDH1A1KMT2A

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