SCHEMBL7880880

SCHEMBL7880880

CCN(CC)Cc1ccc(COc2ccc(Cl)c3cc(C(=O)N=C(N)NC)[nH]c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
CCR5 P51681 3/20 0.37
ACHE P22303 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMPD1 P17405 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 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
SCHEMBL7873839 0.92 MRGPRX4 (0.41) MRGPRX4
SCHEMBL7877789 0.91 RHEB (0.40) RHEBCCR5MRGPRX4HDAC8HDAC1
Hydrochloric Acid SCHEMBL7881050 0.90 RHEB (0.39) RHEBCCR5MRGPRX4HDAC8HDAC1
SCHEMBL7877759 0.89 SLC6A4 (0.36) HRH3ACHEPARP1PARP2PKM
SCHEMBL7880031 0.88 RHEB (0.41) RHEBCCR5MRGPRX4HDAC8HDAC1
SCHEMBL7881178 0.88 LTB4R (0.36) CCR5MRGPRX4HDAC8MEN1ALDH1A1
SCHEMBL7879651 0.88 HRH3 (0.37) RHEBHRH3CCR5ACHEMRGPRX4
Hydrochloric Acid SCHEMBL7877846 0.87 RHEB (0.41) RHEBCCR5MRGPRX4HDAC8HDAC1
Hydrochloric Acid SCHEMBL7877433 0.86 RHEB (0.41) RHEBMRGPRX4HDAC8HDAC1HDAC6
SCHEMBL7873853 0.85 HRH3 (0.39) HRH3ACHEL3MBTL1ALDH1A1

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